UCSF

ZINC06924498

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 3.95 7.01 -20.89 2 7 0 89 404.879 7
Mid Mid (pH 6-8) 3.95 6.85 -46.78 1 7 -1 87 403.871 7

Activity (Go SEA)

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