UCSF

ZINC19455277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 27 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) 3.08 13 -39.3 1 5 1 43 369.533 6
Mid Mid (pH 6-8) 3.08 13.44 -78.7 2 5 2 44 370.541 6

Activity (Go SEA)

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