UCSF

ZINC36794405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.68 5.21 -35.27 2 4 1 50 239.339 4
Hi High (pH 8-9.5) 0.68 4.4 -10.84 1 4 0 45 238.331 4

Activity (Go SEA)

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