UCSF

ZINC37827009

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.69 4.75 -40.34 3 4 1 51 274.388 4
Hi High (pH 8-9.5) -0.69 4.43 -6.36 2 4 0 50 273.38 4
Mid Mid (pH 6-8) -0.69 6.95 -95.98 4 4 2 52 275.396 4

Activity (Go SEA)

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