UCSF

ZINC19989204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.56 3.49 -7.67 2 3 0 56 232.327 5
Mid Mid (pH 6-8) 2.56 4.6 -42.61 3 3 1 61 233.335 5

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Rings

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