UCSF

ZINC20380879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 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) 1.00 4.61 -93.56 3 2 2 21 168.284 0
Hi High (pH 8-9.5) 1.00 2.35 -39.28 2 2 1 20 167.276 0

Activity (Go SEA)

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