UCSF

ZINC43402326

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.83 2.67 -98.57 4 5 2 71 282.31 7
Hi High (pH 8-9.5) 1.83 0.38 -8.12 2 5 0 68 280.294 7
Mid Mid (pH 6-8) 1.83 0.6 -41.61 3 5 1 70 281.302 7

Activity (Go SEA)

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