UCSF

ZINC49916713

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 31 No

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) 0.88 0.3 -13.08 3 9 0 133 428.42 5
Mid Mid (pH 6-8) 0.88 1.14 -56.72 4 9 1 128 429.428 5
Mid Mid (pH 6-8) 0.88 0.48 -13.13 3 9 0 133 428.42 5

Activity (Go SEA)

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

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