UCSF

ZINC37818156

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -0.59 1.4 -40.85 3 6 1 75 244.315 8
Hi High (pH 8-9.5) -0.59 0.12 -13.9 2 6 0 71 243.307 8

Activity (Go SEA)

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