UCSF

ZINC36946370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) -0.17 3.31 -40.47 2 5 1 46 256.37 2
Lo Low (pH 4.5-6) -0.17 2.64 -43.67 2 5 1 49 256.37 2
Lo Low (pH 4.5-6) -0.17 4.61 -118.22 3 5 2 51 257.378 2

Activity (Go SEA)

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