UCSF

ZINC62965968

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 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) 1.00 2.74 -30.47 2 3 1 20 212.361 2
Hi High (pH 8-9.5) 1.00 1.61 -35.84 2 3 1 23 212.361 2
Hi High (pH 8-9.5) 1.00 0.33 -1.58 1 3 0 19 211.353 2
Mid Mid (pH 6-8) 1.00 5.13 -102.03 3 3 2 21 213.369 2
Mid Mid (pH 6-8) 1.00 4 -81.72 3 3 2 24 213.369 2

Activity (Go SEA)

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

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