UCSF

ZINC19977409

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.45 3.18 -47.68 3 4 1 49 268.768 3
Mid Mid (pH 6-8) 1.45 3.94 -38.18 3 4 1 46 268.768 3
Lo Low (pH 4.5-6) 1.45 5.33 -120.56 4 4 2 50 269.776 3

Activity (Go SEA)

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