UCSF

ZINC21929652

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 24 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) 3.79 8.33 -7.34 0 3 0 24 344.524 3
Mid Mid (pH 6-8) 3.79 10.66 -46.79 1 3 1 25 345.532 3

Activity (Go SEA)

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