UCSF

ZINC41863758

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 20 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) 1.55 6.92 -13.24 1 4 0 45 265.316 3
Lo Low (pH 4.5-6) 1.55 7.37 -44.38 2 4 1 46 266.324 3

Activity (Go SEA)

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