UCSF

ZINC65356319

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 16 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) 0.45 0.6 -116.24 3 6 2 87 215.216 1
Mid Mid (pH 6-8) 0.90 -1.27 -103.26 2 6 1 90 214.208 1
Lo Low (pH 4.5-6) 0.45 1.04 -242.18 4 6 3 88 216.224 1

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

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