UCSF

ZINC49001378

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 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) 1.27 1.63 -10.84 2 6 0 85 268.361 7
Mid Mid (pH 6-8) 1.27 3.6 -49.36 3 6 1 86 269.369 7

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