UCSF

ZINC04793722

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 37 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) 3.02 14.55 -68.4 2 6 1 59 493.631 5
Mid Mid (pH 6-8) 3.02 12.28 -21.85 1 6 0 58 492.623 5

Activity (Go SEA)

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