UCSF

ZINC43406732

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 No

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) 0.61 8.24 -31.95 4 5 1 70 286.403 3
Hi High (pH 8-9.5) 0.61 6.04 -7.83 3 5 0 69 285.395 3
Mid Mid (pH 6-8) 0.61 7.18 -87.72 5 5 2 72 287.411 3

Activity (Go SEA)

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