UCSF

ZINC20549105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 1.82 3.05 -77.79 2 6 0 91 341.216 6
Hi High (pH 8-9.5) 1.82 0.53 -48.97 1 6 -1 90 340.208 6
Hi High (pH 8-9.5) 1.82 2.64 -90.92 1 6 -1 93 340.208 6

Activity (Go SEA)

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