UCSF

ZINC63059762

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2011 19 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) 1.59 3.85 -49.61 1 5 -1 67 263.317 4
Mid Mid (pH 6-8) 1.59 3.77 -60.5 2 5 0 68 264.325 4
Mid Mid (pH 6-8) 1.59 6.14 -74.53 2 5 0 68 264.325 4

Activity (Go SEA)

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

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