UCSF

ZINC67755505

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 0.26 3.43 -112.25 4 6 2 81 302.444 6
Mid Mid (pH 6-8) 0.26 3.01 -53.01 3 6 1 79 301.436 6
Mid Mid (pH 6-8) 0.26 1.24 -39.4 3 6 1 79 301.436 6

Activity (Go SEA)

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

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