UCSF

ZINC00016703

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 22 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) 2.53 1.79 -52.4 2 6 -1 100 316.362 3
Lo Low (pH 4.5-6) 2.53 2.45 -14.25 3 6 0 98 317.37 3

Activity (Go SEA)

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