UCSF

ZINC42781386

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.48 5.65 -52.75 0 5 -1 59 264.349 6
Hi High (pH 8-9.5) 1.48 5.71 -51.12 2 5 1 62 266.365 6
Hi High (pH 8-9.5) 1.48 7.11 -46.23 2 5 1 58 266.365 6
Mid Mid (pH 6-8) 1.48 8.13 -70.59 1 5 0 61 265.357 6

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