UCSF

ZINC37173322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 1.10 5.47 -91.15 5 4 2 69 222.336 5
Hi High (pH 8-9.5) 1.10 5.48 -31.29 4 4 1 67 221.328 5
Hi High (pH 8-9.5) 1.10 5.09 -35.79 4 4 1 68 221.328 5

Activity (Go SEA)

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