UCSF

ZINC44650587

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) -0.46 5.45 -86.53 3 5 2 56 226.324 6
Hi High (pH 8-9.5) -0.46 3.68 -7.7 1 5 0 50 224.308 6
Mid Mid (pH 6-8) -0.46 5.03 -42.93 2 5 1 55 225.316 6

Activity (Go SEA)

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