UCSF

ZINC45685440

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 1.93 6.98 -39.57 2 3 1 43 244.261 7
Mid Mid (pH 6-8) 1.93 5.61 -6.88 1 3 0 38 243.253 7

Activity (Go SEA)

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