UCSF

ZINC15782383

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 21 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) 4.28 7.24 -7.8 1 4 0 55 275.311 2
Mid Mid (pH 6-8) 4.52 7.24 -7.79 1 4 0 54 275.311 1
Mid Mid (pH 6-8) 4.52 7.22 -7.59 1 4 0 54 275.311 1
Lo Low (pH 4.5-6) 4.52 8.29 -96.96 3 4 2 57 277.327 1

Activity (Go SEA)

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