UCSF

ZINC14011382

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 23 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) 3.98 7.68 -16.53 1 4 0 55 391.652 2
Mid Mid (pH 6-8) 3.98 8.08 -35.64 0 4 -1 58 390.644 2
Mid Mid (pH 6-8) 3.98 8.45 -50.13 0 4 -1 58 390.644 2

Activity (Go SEA)

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

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