UCSF

ZINC37171727

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) 1.42 5.86 -90.81 5 4 2 69 222.336 6
Hi High (pH 8-9.5) 1.42 5.88 -32.9 4 4 1 67 221.328 6
Hi High (pH 8-9.5) 1.42 5.47 -35.94 4 4 1 68 221.328 6

Activity (Go SEA)

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