UCSF

ZINC62964954

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.21 6.58 -35.2 2 3 1 20 274.432 4
Hi High (pH 8-9.5) 2.21 4.8 -2.65 1 3 0 19 273.424 4
Hi High (pH 8-9.5) 2.21 7.2 -37.29 2 3 1 20 274.432 4
Hi High (pH 8-9.5) 2.21 5.71 -30.99 2 3 1 23 274.432 4
Mid Mid (pH 6-8) 2.21 8.11 -96.06 3 3 2 24 275.44 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.