UCSF

ZINC35651269

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 19 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) 0.84 5.6 -46.28 3 4 1 51 266.34 3
Mid Mid (pH 6-8) 0.84 3.39 -11.62 2 4 0 50 265.332 3

Activity (Go SEA)

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