UCSF

ZINC67489618

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 Yes

Popular Name: (3S)-3-hydroxy-1-[(4-isopropylphenyl)methyl]-3-[[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methylamino]m (3S)-3-hydroxy-1-[(4-isopropylph…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.79 3.4 -14.87 4 8 0 114 373.457 7 ↓
Mid Mid (pH 6-8) 0.79 3.31 -40.64 5 8 1 115 374.465 7 ↓
Lo Low (pH 4.5-6) 0.79 3.7 -58.07 5 8 1 119 374.465 7 ↓
Lo Low (pH 4.5-6) 1.25 0.83 -69.36 4 8 0 122 373.457 7 ↓

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.