UCSF

ZINC48839137

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 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) 0.81 5.59 -46.84 2 5 1 56 284.405 5
Mid Mid (pH 6-8) 0.63 4.99 -36.49 1 5 0 62 283.397 5

Activity (Go SEA)

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