UCSF

ZINC37168388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 14 No

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) 1.28 5.09 -33.6 2 2 1 16 213.37 2
Lo Low (pH 4.5-6) 1.28 3.63 -41.13 2 2 1 20 213.37 2
Lo Low (pH 4.5-6) 1.28 6.21 -113.1 3 2 2 21 214.378 2

Activity (Go SEA)

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