UCSF

ZINC20467604

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 20 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) 3.23 3.34 -33.04 2 5 -1 87 375.655 3
Mid Mid (pH 6-8) 3.23 3.28 -10.87 3 5 0 85 376.663 3

Activity (Go SEA)

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