UCSF

ZINC36986370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 2.87 5.23 -39.65 2 3 1 35 248.346 1
Hi High (pH 8-9.5) 2.87 4.1 -4.41 1 3 0 30 247.338 1

Activity (Go SEA)

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