UCSF

ZINC08742766

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 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) 6.47 0.65 -8.09 1 2 0 28 344.845 3
Mid Mid (pH 6-8) 6.47 0.85 -27.47 2 2 1 29 345.853 3

Activity (Go SEA)

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