UCSF

ZINC43704294

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) 0.85 4.3 -61.15 1 6 0 76 280.324 4
Mid Mid (pH 6-8) 0.85 3.94 -48.08 0 6 -1 75 279.316 4
Lo Low (pH 4.5-6) 0.85 6.24 -46.1 1 6 0 76 280.324 4

Activity (Go SEA)

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