UCSF

ZINC08033429

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 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) 3.33 6.81 -18.72 2 6 0 99 377.425 5
Mid Mid (pH 6-8) 3.33 6.84 -51.66 1 6 -1 101 376.417 5

Activity (Go SEA)

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