UCSF

ZINC45686890

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 2.28 6.58 -96.68 3 3 2 24 245.455 11
Hi High (pH 8-9.5) 2.28 4.45 -35.23 2 3 1 23 244.447 11
Mid Mid (pH 6-8) 2.28 6.89 -79.83 3 3 2 24 245.455 11
Mid Mid (pH 6-8) 2.28 9.02 -182.68 4 3 3 25 246.463 11

Activity (Go SEA)

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