UCSF

ZINC33578970

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 31 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) 4.47 9.89 -49.95 3 6 1 76 502.458 6
Mid Mid (pH 6-8) 4.47 7.71 -15.63 2 6 0 74 501.45 6

Activity (Go SEA)

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