UCSF

ZINC95890376

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 16 No

Other Names:

MFCD02683925

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.44 4.27 -41.36 3 4 0 81 238.674 3
Mid Mid (pH 6-8) -1.44 3.95 -47.95 2 4 -1 79 237.666 3

Activity (Go SEA)

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

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