UCSF

ZINC41792104

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 1.49 3.81 -17.76 2 6 0 84 355.217 4
Hi High (pH 8-9.5) 1.31 2.7 -47.82 1 6 -1 90 354.209 4

Activity (Go SEA)

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