UCSF

ZINC31934987

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.89 4.39 -85.6 4 4 2 51 254.374 9
Hi High (pH 8-9.5) 0.89 4 -31.52 3 4 1 49 253.366 9
Hi High (pH 8-9.5) 0.89 1.97 -45.34 3 4 1 49 253.366 9
Hi High (pH 8-9.5) 0.89 2.38 -3.49 2 4 0 48 252.358 9

Activity (Go SEA)

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