UCSF

ZINC08648271

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2007 37 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) 3.66 12.83 -24.37 0 10 0 114 504.543 10
Mid Mid (pH 6-8) -0.25 14.37 -30.29 1 10 1 112 505.551 11

Activity (Go SEA)

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