UCSF

ZINC34929436

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 24 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) 3.53 9.3 -44.45 4 3 1 57 317.412 5
Hi High (pH 8-9.5) 3.53 8.97 -7.59 3 3 0 55 316.404 5

Activity (Go SEA)

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