UCSF

ZINC52347099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 28 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) -1.14 -0.95 -26.08 5 10 0 150 390.444 6
Mid Mid (pH 6-8) -1.14 -0.42 -53.83 6 10 1 152 391.452 6
Mid Mid (pH 6-8) -1.14 -0.42 -53.45 6 10 1 152 391.452 6

Activity (Go SEA)

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