UCSF

ZINC40146758

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 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) 2.99 11.13 -48.72 3 8 1 101 444.6 8
Mid Mid (pH 6-8) 3.44 8.6 -80.2 2 8 0 104 443.592 8

Activity (Go SEA)

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