UCSF

ZINC08490844

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2006 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.68 3.64 -16.54 3 7 0 98 380.448 4
Mid Mid (pH 6-8) 1.68 4.08 -36.44 4 7 1 100 381.456 4

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