UCSF

ZINC69948337

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 19 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) 1.20 1.69 -34.69 3 4 1 48 330.246 5
Mid Mid (pH 6-8) 1.20 1.57 -39.59 3 4 1 48 330.246 5
Mid Mid (pH 6-8) 1.20 -0.65 -6.1 2 4 0 47 329.238 5

Activity (Go SEA)

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