UCSF

ZINC43965743

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 2.85 9.62 -110.15 3 3 2 30 290.451 4
Hi High (pH 8-9.5) 2.85 6.72 -3.94 1 3 0 24 288.435 4
Hi High (pH 8-9.5) 2.85 6.48 -33 2 3 1 29 289.443 4
Mid Mid (pH 6-8) 2.85 8.85 -35.47 2 3 1 26 289.443 4

Activity (Go SEA)

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