UCSF

ZINC34077957

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 15 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) 0.59 6.31 -69.58 1 4 -1 73 202.189 1
Mid Mid (pH 6-8) 1.89 4.21 -133.69 0 4 -2 76 201.181 1
Lo Low (pH 4.5-6) 1.89 3.8 -41.94 2 4 0 74 203.197 1
Lo Low (pH 4.5-6) 0.59 5.48 -27.67 2 4 0 76 203.197 1

Activity (Go SEA)

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