UCSF

ZINC34820747

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 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) 2.37 6.67 -39.3 2 3 1 39 243.33 5
Lo Low (pH 4.5-6) 2.37 7.12 -84.17 3 3 2 40 244.338 5

Activity (Go SEA)

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