UCSF

ZINC29401107

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 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) 2.39 6.68 -33.74 2 3 1 34 274.384 3
Hi High (pH 8-9.5) 2.39 4.65 -6.62 1 3 0 33 273.376 3

Activity (Go SEA)

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