UCSF

ZINC35633328

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) 0.97 4.66 -75.28 2 6 0 91 292.364 5
Mid Mid (pH 6-8) 0.97 5 -55.51 3 6 1 89 293.372 5

Activity (Go SEA)

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