UCSF

ZINC95707296

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 10 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) 1.52 2.6 -37.27 1 2 1 27 153.592 0
Mid Mid (pH 6-8) 1.52 3.03 -104.19 2 2 2 28 154.6 0

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

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