UCSF

ZINC33787586

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 39 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) 4.29 13.21 -16.89 0 7 0 66 533.713 11
Mid Mid (pH 6-8) 4.29 15.5 -65.57 1 7 1 67 534.721 11

Activity (Go SEA)

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