UCSF

ZINC43241891

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.63 5.68 -31.16 3 3 1 40 269.434 5
Hi High (pH 8-9.5) 1.62 3.95 -4.3 2 3 0 38 268.426 5
Mid Mid (pH 6-8) 1.63 5.96 -111.21 4 3 2 41 270.442 5
Mid Mid (pH 6-8) 1.63 4.2 -41.82 3 3 1 40 269.434 5

Activity (Go SEA)

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