UCSF

ZINC37094739

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.87 5.1 -129.57 4 4 2 51 252.358 6
Mid Mid (pH 6-8) 1.87 3.31 -50.9 3 4 1 49 251.35 6
Mid Mid (pH 6-8) 1.87 4.98 -34.85 3 4 1 49 251.35 6

Activity (Go SEA)

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