UCSF

ZINC49519583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 19 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) 3.45 7.88 -33.53 2 3 1 34 346.314 5
Hi High (pH 8-9.5) 3.45 5.78 -5.97 1 3 0 32 345.306 5

Activity (Go SEA)

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