UCSF

ZINC19426535

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) 2.49 6.72 -101.85 4 3 2 35 283.504 4
Mid Mid (pH 6-8) 2.49 4.34 -47.33 3 3 1 34 282.496 4
Mid Mid (pH 6-8) 2.49 5.79 -116.78 4 3 2 35 283.504 4

Activity (Go SEA)

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