UCSF

ZINC95743622

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 11 Yes

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) -0.28 -0.49 -7.15 2 3 0 51 147.181 1
Lo Low (pH 4.5-6) -0.28 -0.09 -40.29 3 3 1 52 148.189 1

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

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