UCSF

ZINC62962423

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 16 No

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) 0.14 -0.83 -62.13 3 4 1 65 247.384 3
Mid Mid (pH 6-8) 0.14 0.9 -46.15 3 4 1 65 247.384 3
Mid Mid (pH 6-8) 0.14 -1.11 -9.49 2 4 0 63 246.376 3
Lo Low (pH 4.5-6) 0.14 1.18 -138.26 4 4 2 66 248.392 3

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

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