UCSF

ZINC42909668

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 1.89 3.97 -122.38 5 3 2 52 266.429 7
Hi High (pH 8-9.5) 1.89 3.2 -38.95 4 3 1 51 265.421 7
Mid Mid (pH 6-8) 1.89 3.98 -29.65 4 3 1 51 265.421 7

Activity (Go SEA)

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