UCSF

ZINC42680045

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 16 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) 0.96 3.14 -31.25 2 3 1 20 226.388 3
Hi High (pH 8-9.5) 0.96 4.46 -106.93 3 3 2 24 227.396 3
Hi High (pH 8-9.5) 0.96 3.2 -31.84 2 3 1 20 226.388 3
Mid Mid (pH 6-8) 0.96 4.52 -88 3 3 2 24 227.396 3
Lo Low (pH 4.5-6) 0.96 5.38 -95.18 3 3 2 21 227.396 3

Activity (Go SEA)

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