UCSF

ZINC42691195

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 2.79 8.51 -114.55 3 2 2 21 303.219 6
Hi High (pH 8-9.5) 2.79 4.83 -2.93 1 2 0 15 301.203 6
Hi High (pH 8-9.5) 2.79 7.21 -37.78 2 2 1 16 302.211 6
Mid Mid (pH 6-8) 2.79 6.12 -37.67 2 2 1 20 302.211 6

Activity (Go SEA)

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