UCSF

ZINC43894222

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.78 7.06 -114.95 3 3 2 34 237.391 7
Hi High (pH 8-9.5) 1.78 4.2 -2.91 1 3 0 28 235.375 7
Mid Mid (pH 6-8) 1.78 6.06 -37.47 2 3 1 29 236.383 7
Mid Mid (pH 6-8) 1.78 5.18 -39.68 2 3 1 33 236.383 7

Activity (Go SEA)

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