UCSF

ZINC34553525

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 5.71 16.44 -61.17 2 5 1 54 490.627 7
Mid Mid (pH 6-8) 5.71 14.24 -20.47 1 5 0 53 489.619 7

Activity (Go SEA)

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