UCSF

ZINC28218375

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 32 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) 3.02 5.18 -61.06 3 7 1 89 454.572 7
Mid Mid (pH 6-8) 3.02 3.87 -16.38 2 7 0 84 453.564 7

Activity (Go SEA)

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