UCSF

ZINC23257835

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 2.25 6.4 -40.2 2 4 1 46 275.372 6
Mid Mid (pH 6-8) 2.25 8.35 -113.43 3 4 2 47 276.38 6

Activity (Go SEA)

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