UCSF

ZINC00284052

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 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) 0.38 2.2 -5.65 4 5 0 81 193.254 1
Lo Low (pH 4.5-6) 0.38 2.43 -26.73 5 5 1 82 194.262 1
Lo Low (pH 4.5-6) 0.38 -1.63 -28.57 5 5 1 82 194.262 1

Activity (Go SEA)

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