UCSF

ZINC35651679

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) -0.57 3.48 -71.47 2 8 0 109 316.383 7
Hi High (pH 8-9.5) -0.57 3.07 -77.77 1 8 -1 111 315.375 7
Hi High (pH 8-9.5) -0.57 1.37 -51.68 1 8 -1 107 315.375 7

Activity (Go SEA)

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