UCSF

ZINC36698158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 33 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) 6.98 10.65 -51.87 0 6 -1 83 499.037 5
Mid Mid (pH 6-8) 6.98 10.63 -14.28 1 6 0 81 500.045 5

Activity (Go SEA)

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