UCSF

ZINC42777072

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 3.53 7.91 -51 3 3 1 44 272.416 4
Hi High (pH 8-9.5) 3.53 7.52 -5.74 2 3 0 42 271.408 4
Mid Mid (pH 6-8) 3.53 8.29 -100.64 4 3 2 45 273.424 4

Activity (Go SEA)

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