UCSF

ZINC20554354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.13 0.79 -63.12 4 4 1 74 283.295 6
Mid Mid (pH 6-8) 1.13 0.38 -56.59 3 4 0 76 282.287 6

Activity (Go SEA)

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