UCSF

ZINC21008188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 20 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) 3.19 10.12 -57.5 0 4 -1 58 265.292 4
Mid Mid (pH 6-8) 3.19 10.56 -68.39 1 4 0 59 266.3 4

Activity (Go SEA)

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