UCSF

ZINC34993303

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.85 2.52 -9.81 2 4 0 50 236.315 6
Mid Mid (pH 6-8) 1.85 3.89 -40.26 3 4 1 55 237.323 6

Activity (Go SEA)

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