UCSF

ZINC43453229

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.22 7.2 -120.6 3 4 2 41 259.438 9
Hi High (pH 8-9.5) 1.22 5.12 -40.28 2 4 1 40 258.43 9
Mid Mid (pH 6-8) 1.22 6.2 -44.1 2 4 1 37 258.43 9

Activity (Go SEA)

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