UCSF

ZINC44133091

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 1.96 4.41 -36.32 2 4 1 37 293.431 5
Lo Low (pH 4.5-6) 1.96 6.69 -102.59 3 4 2 38 294.439 5

Activity (Go SEA)

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