UCSF

ZINC19451138

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 24 Yes

Popular Name: N-[(1S)-1-(benzotriazol-1-ylmethyl)-2-methyl-propyl]-5-hydroxy-pyridine-3-carboxamide N-[(1S)-1-(benzotriazol-1-ylmeth…

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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) 1.97 3.71 -51.93 2 7 0 97 325.372 5 ↓
Hi High (pH 8-9.5) 1.97 3.23 -53.93 1 7 -1 96 324.364 5 ↓
Mid Mid (pH 6-8) 1.97 2.43 -21.88 2 7 0 93 325.372 5 ↓
Mid Mid (pH 6-8) 1.97 2.93 -60.12 3 7 1 94 326.38 5 ↓

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Rings

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

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