UCSF

ZINC36872006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.68 6.32 -120.71 4 4 2 45 265.401 5
Hi High (pH 8-9.5) 1.68 4.04 -2.99 2 4 0 42 263.385 5
Mid Mid (pH 6-8) 1.68 4.43 -40 3 4 1 43 264.393 5
Mid Mid (pH 6-8) 1.68 6 -33.68 3 4 1 43 264.393 5

Activity (Go SEA)

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