UCSF

ZINC04790914

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 30 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) 4.92 12.51 -15.21 1 6 0 65 405.429 5
Mid Mid (pH 6-8) 4.92 12.95 -33.78 2 6 1 66 406.437 5

Activity (Go SEA)

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