UCSF

ZINC34677635

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 1.67 4.95 -46.71 2 8 1 83 411.567 12
Mid Mid (pH 6-8) 1.67 2.71 -9.54 1 8 0 82 410.559 12

Activity (Go SEA)

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