UCSF

ZINC42432030

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) 2.64 6.93 -30.69 2 3 1 31 258.37 3
Mid Mid (pH 6-8) 2.64 6.32 -10.59 1 3 0 30 257.362 3
Lo Low (pH 4.5-6) 2.64 7.46 -39.12 2 3 1 34 258.37 3

Activity (Go SEA)

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