UCSF

ZINC35680342

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) -0.05 8.25 -34.64 1 5 0 65 276.336 3
Mid Mid (pH 6-8) -0.05 6.12 -45.45 0 5 -1 64 275.328 3

Activity (Go SEA)

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