UCSF

ZINC35512232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 37 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) 4.43 11.32 -17.16 1 8 0 76 498.583 7
Mid Mid (pH 6-8) 4.43 11.79 -47.1 2 8 1 77 499.591 7

Activity (Go SEA)

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