UCSF

ZINC95082505

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 17 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) 0.50 3.06 -102.21 3 4 2 51 231.299 1
Mid Mid (pH 6-8) 0.50 1.74 -37.57 2 4 1 46 230.291 1

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

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