UCSF

ZINC95884310

Substance Information

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

Other Names:

MFCD00069709

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) -1.99 1.11 -39.66 4 5 0 101 220.228 3
Mid Mid (pH 6-8) -1.99 0.8 -52.94 3 5 -1 99 219.22 3

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

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