UCSF

ZINC43411473

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.63 3.48 -33.07 3 3 1 40 273.347 6
Hi High (pH 8-9.5) 1.63 2.35 -4.09 2 3 0 35 272.339 6
Mid Mid (pH 6-8) 1.63 4.41 -30.96 3 3 1 37 273.347 6
Lo Low (pH 4.5-6) 1.63 5.56 -105.27 4 3 2 41 274.355 6

Activity (Go SEA)

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