UCSF

ZINC44995044

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 19 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) 4.12 9.33 -34.29 2 2 1 16 267.481 5
Mid Mid (pH 6-8) 4.12 8.42 -33.97 2 2 1 20 267.481 5
Mid Mid (pH 6-8) 4.12 10.34 -102.23 3 2 2 21 268.489 5

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

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