UCSF

ZINC22591318

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 16 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) 2.35 5.97 -36.71 1 3 1 21 288.209 3
Lo Low (pH 4.5-6) 2.35 5.89 -37.28 1 3 1 21 288.209 3

Activity (Go SEA)

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