UCSF

ZINC37322142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 20 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) 3.77 7.53 -41.5 2 2 1 20 291.846 4
Lo Low (pH 4.5-6) 3.77 8.98 -35.36 2 2 1 16 291.846 4
Lo Low (pH 4.5-6) 3.77 10.04 -112.68 3 2 2 21 292.854 4

Activity (Go SEA)

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