UCSF

ZINC02230512

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 25 No

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) 3.98 4.99 -9.39 2 6 0 84 356.403 4
Mid Mid (pH 6-8) 3.49 4.48 -42.71 1 6 -1 83 355.395 5

Activity (Go SEA)

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