UCSF

ZINC22465164

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 23 Yes

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) 2.71 7.78 -46.21 2 4 1 37 307.421 3
Hi High (pH 8-9.5) 2.71 6.37 -10.41 1 4 0 33 306.413 3
Mid Mid (pH 6-8) 2.71 8.18 -80.58 3 4 2 38 308.429 3

Activity (Go SEA)

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