UCSF

ZINC44236552

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 12 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) 1.17 3.62 -51.67 3 2 1 45 184.646 3
Hi High (pH 8-9.5) 1.17 3.23 -7.88 2 2 0 43 183.638 3

Activity (Go SEA)

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