UCSF

ZINC34685538

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 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) 5.45 14.63 -16.42 0 4 0 33 460.593 7
Mid Mid (pH 6-8) 5.45 16.5 -44.31 1 4 1 34 461.601 7

Activity (Go SEA)

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