UCSF

ZINC20075343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) -0.12 3.23 -118.45 4 5 2 53 253.394 5
Mid Mid (pH 6-8) -0.12 0.92 -49.91 3 5 1 52 252.386 5

Activity (Go SEA)

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