UCSF

ZINC42916729

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.84 4.98 -56.41 3 4 1 55 290.314 4
Hi High (pH 8-9.5) 2.84 4.64 -6.25 2 4 0 54 289.306 4

Activity (Go SEA)

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