UCSF

ZINC37111650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 0.98 5.8 -90.22 5 4 2 69 222.336 5
Hi High (pH 8-9.5) 0.98 5.82 -30.2 4 4 1 67 221.328 5
Hi High (pH 8-9.5) 0.98 5.6 -34.34 4 4 1 68 221.328 5

Activity (Go SEA)

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