UCSF

ZINC13136605

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 35 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) 2.89 9.79 -42.96 2 7 1 74 469.565 5
Mid Mid (pH 6-8) 2.89 12.05 -121.73 3 7 2 76 470.573 5

Activity (Go SEA)

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