UCSF

ZINC25755947

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 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) 1.45 -0.71 -7.5 0 6 0 65 328.166 3
Mid Mid (pH 6-8) 1.45 1.62 -41.55 1 6 1 66 329.174 3

Activity (Go SEA)

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