UCSF

ZINC37792405

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) 1.00 3.28 -57.96 2 5 -1 89 244.311 8
Lo Low (pH 4.5-6) 1.00 1.21 -12.36 3 5 0 87 245.319 8

Activity (Go SEA)

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