UCSF

ZINC36750314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 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) 1.56 5.14 -41.69 2 4 1 35 265.377 5
Mid Mid (pH 6-8) 1.56 4.15 -42.26 2 4 1 38 265.377 5
Mid Mid (pH 6-8) 1.56 6.4 -110.68 3 4 2 40 266.385 5

Activity (Go SEA)

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