UCSF

ZINC19637405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 26 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) 3.45 10.03 -35.15 1 3 1 11 350.53 5
Mid Mid (pH 6-8) 3.45 10 -37.87 1 3 1 11 350.53 5
Mid Mid (pH 6-8) 3.45 12.26 -107.64 2 3 2 12 351.538 5

Activity (Go SEA)

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