UCSF

ZINC38001937

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 3.08 7.12 -89.48 3 3 2 24 348.354 6
Hi High (pH 8-9.5) 3.08 4.73 -42.11 2 3 1 23 347.346 6
Hi High (pH 8-9.5) 3.08 3.56 -3.2 1 3 0 19 346.338 6
Mid Mid (pH 6-8) 3.08 5.82 -36.37 2 3 1 20 347.346 6
Mid Mid (pH 6-8) 3.08 7.01 -110.28 3 3 2 24 348.354 6

Activity (Go SEA)

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