UCSF

ZINC96007020

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2014 22 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) 2.95 12.3 -10.15 0 6 0 58 300.41 5
Lo Low (pH 4.5-6) 2.95 12.61 -30.14 1 6 1 59 301.418 5
Lo Low (pH 4.5-6) 2.95 12.93 -66.75 2 6 2 61 302.426 5

Activity (Go SEA)

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

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