UCSF

ZINC37848980

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 3.18 5.32 -42.59 3 3 1 46 272.434 11
Mid Mid (pH 6-8) 3.18 3.91 -5.46 2 3 0 41 271.426 11

Activity (Go SEA)

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