UCSF

ZINC19782426

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 20 No

Other Names:

MFCD01130403

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) 1.84 6.63 -10.48 0 4 0 41 402.257 2
Ref Reference (pH 7) 1.84 6.9 -10.07 0 4 0 41 402.257 2
Mid Mid (pH 6-8) 1.84 8.94 -52.02 1 4 1 42 403.265 2

Activity (Go SEA)

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

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