UCSF

ZINC42779775

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 1.55 7.35 -186.05 4 3 3 25 218.409 9
Hi High (pH 8-9.5) 1.55 6.07 -105.93 3 3 2 21 217.401 9
Hi High (pH 8-9.5) 1.55 3.26 -37.69 2 3 1 23 216.393 9
Mid Mid (pH 6-8) 1.55 4.87 -99.1 3 3 2 24 217.401 9
Mid Mid (pH 6-8) 1.55 5.71 -85.34 3 3 2 24 217.401 9

Activity (Go SEA)

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