UCSF

ZINC42582171

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 20 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) 1.56 8.15 -36.37 3 3 1 44 273.4 6
Hi High (pH 8-9.5) 1.56 6.24 -3.58 2 3 0 42 272.392 6
Mid Mid (pH 6-8) 1.56 6.9 -40.87 3 3 1 44 273.4 6
Mid Mid (pH 6-8) 1.56 8.49 -125.52 4 3 2 45 274.408 6

Activity (Go SEA)

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