UCSF

ZINC21519887

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 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) 1.81 3.97 -9.74 3 4 0 68 233.315 3
Lo Low (pH 4.5-6) 1.81 4.28 -34.49 4 4 1 69 234.323 3

Activity (Go SEA)

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