UCSF

ZINC43248544

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) 1.81 3.3 -27.48 4 3 1 51 257.423 8
Hi High (pH 8-9.5) 1.81 1.38 -5.22 3 3 0 49 256.415 8
Mid Mid (pH 6-8) 1.81 1.59 -50.43 4 3 1 51 257.423 8
Lo Low (pH 4.5-6) 1.81 3.66 -121.72 5 3 2 52 258.431 8

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