UCSF

ZINC34551916

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 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) 4.72 11.96 -35.79 2 4 1 37 390.551 3
Hi High (pH 8-9.5) 4.72 10.53 -6.05 1 4 0 36 389.543 3

Activity (Go SEA)

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