UCSF

ZINC48241994

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2010 21 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) 3.91 11.31 -33.34 2 2 1 16 283.439 6
Lo Low (pH 4.5-6) 3.91 11.21 -118.55 3 2 2 21 284.447 6

Activity (Go SEA)

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