UCSF

ZINC40308974

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 23 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) 2.09 7.04 -41.46 3 7 1 89 315.353 4
Ref Reference (pH 7) 2.09 6.56 -11.58 2 7 0 87 314.345 4
Mid Mid (pH 6-8) 2.09 6.57 -12.68 2 7 0 87 314.345 4
Mid Mid (pH 6-8) 2.09 7.03 -41.73 3 7 1 89 315.353 4

Activity (Go SEA)

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