UCSF

ZINC21992666

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 21 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) 1.25 5.58 -13.03 4 7 0 102 288.355 4
Lo Low (pH 4.5-6) 1.25 5.84 -32.44 5 7 1 103 289.363 4

Activity (Go SEA)

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