UCSF

ZINC37822658

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.67 0.24 -46.97 5 6 1 115 241.315 7
Hi High (pH 8-9.5) -0.67 -0.13 -16.15 4 6 0 113 240.307 7

Activity (Go SEA)

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