UCSF

ZINC24014461

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2009 18 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) 0.18 4.45 -10.06 2 7 0 80 252.322 3
Lo Low (pH 4.5-6) 0.18 4.9 -34.77 3 7 1 82 253.33 3
Lo Low (pH 4.5-6) 0.18 4.83 -31.55 3 7 1 82 253.33 3

Activity (Go SEA)

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