UCSF

ZINC55226037

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 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) 1.87 8.53 -52.87 1 4 0 48 280.343 3
Hi High (pH 8-9.5) 1.87 8.15 -26.01 1 4 0 48 280.343 3
Lo Low (pH 4.5-6) 1.87 10.13 -78.12 2 4 1 49 281.351 3

Activity (Go SEA)

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