UCSF

ZINC95884299

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2014 16 Yes

CAS Number: 6025-81-6

Other Names:

MFCD00213654

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) -0.20 -1.86 -36.49 1 6 -1 84 218.24 4
Mid Mid (pH 6-8) -0.20 -0.86 -8.83 2 6 0 82 219.248 4
Mid Mid (pH 6-8) -0.20 -0.88 -8.78 2 6 0 82 219.248 4
Lo Low (pH 4.5-6) -0.20 -0.46 -38.91 3 6 1 83 220.256 4
Lo Low (pH 4.5-6) -0.20 -0.49 -38.92 3 6 1 83 220.256 4

Activity (Go SEA)

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

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