UCSF

ZINC43242890

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 1.29 2.19 -28.51 4 3 1 51 257.423 6
Hi High (pH 8-9.5) 1.29 0.21 -2.9 3 3 0 49 256.415 6
Mid Mid (pH 6-8) 1.29 0.53 -37.95 4 3 1 51 257.423 6
Lo Low (pH 4.5-6) 1.29 2.51 -104.17 5 3 2 52 258.431 6

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