UCSF

ZINC43252239

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.51 1.47 -30.13 5 4 1 74 288.824 4
Hi High (pH 8-9.5) 1.51 -0.3 -11.25 4 4 0 72 287.816 4
Hi High (pH 8-9.5) 1.27 1.13 -31.25 4 4 0 77 287.816 4
Mid Mid (pH 6-8) 1.51 -0.04 -54.98 5 4 1 74 288.824 4
Lo Low (pH 4.5-6) 1.51 1.8 -108.1 6 4 2 75 289.832 4

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