UCSF

ZINC01782986

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 18 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) 1.66 6.38 -11.32 1 4 0 55 276.342 0
Ref Reference (pH 7) 2.12 3.57 -8.35 1 4 0 55 276.342 0
Mid Mid (pH 6-8) 2.12 4.59 -45.73 0 4 -1 58 275.334 0

Activity (Go SEA)

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

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