UCSF

ZINC20967867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 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) 6.34 12.05 -35.15 2 3 1 26 414.452 15
Mid Mid (pH 6-8) 6.35 11.47 -39.23 2 3 1 29 414.452 15

Activity (Go SEA)

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