UCSF

ZINC34987798

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 5.20 13.81 -51.95 1 4 1 31 430.494 6
Mid Mid (pH 6-8) 5.20 11.58 -12.38 0 4 0 30 429.486 6

Activity (Go SEA)

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