UCSF

ZINC37797187

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 13 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) 0.74 3.4 -40.41 2 3 1 39 201.315 6
Mid Mid (pH 6-8) 0.74 2.04 -5.22 1 3 0 34 200.307 6

Activity (Go SEA)

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