UCSF

ZINC37186389

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 16 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) 2.18 5.05 -33.55 2 3 1 26 227.372 6
Lo Low (pH 4.5-6) 2.18 4.02 -34.83 2 3 1 29 227.372 6
Lo Low (pH 4.5-6) 2.18 6.29 -99.65 3 3 2 30 228.38 6

Activity (Go SEA)

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