UCSF

ZINC43752080

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2010 26 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) 8.73 17.25 -113 2 2 2 9 370.71 20
Mid Mid (pH 6-8) 8.73 16.04 -35.31 1 2 1 8 369.702 20

Activity (Go SEA)

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