UCSF

ZINC37187188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.48 6.83 -6.41 1 2 0 25 276.792 2
Lo Low (pH 4.5-6) 3.48 7.29 -33.23 2 2 1 26 277.8 2

Activity (Go SEA)

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