UCSF

ZINC58304690

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 25 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) 1.55 9.39 -12.08 0 6 0 54 337.427 5
Mid Mid (pH 6-8) 1.55 10.25 -33.34 1 6 1 56 338.435 5
Lo Low (pH 4.5-6) 1.55 10.58 -76.1 2 6 2 57 339.443 5

Activity (Go SEA)

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