UCSF

ZINC35719272

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 0.47 5.53 -94.38 5 4 2 69 248.355 4
Hi High (pH 8-9.5) 0.47 5.56 -35.87 4 4 1 67 247.347 4
Hi High (pH 8-9.5) 0.47 5.21 -36.03 4 4 1 68 247.347 4

Activity (Go SEA)

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