UCSF

ZINC40950615

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 34 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) 2.28 6.45 -12.37 0 7 0 66 484.666 8
Mid Mid (pH 6-8) 2.28 8.69 -55.93 1 7 1 67 485.674 8
Mid Mid (pH 6-8) 2.28 8.63 -46.34 1 7 1 67 485.674 8
Mid Mid (pH 6-8) 2.28 10.86 -99.76 2 7 2 68 486.682 8

Activity (Go SEA)

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