UCSF

ZINC35765583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 3.30 7.12 -117.05 4 3 2 41 343.309 6
Mid Mid (pH 6-8) 3.30 5.31 -43.05 3 3 1 40 342.301 6

Activity (Go SEA)

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