UCSF

ZINC49519637

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) 1.00 5.82 -36.18 2 5 1 51 265.381 5
Hi High (pH 8-9.5) 1.00 3.73 -9.84 1 5 0 50 264.373 5

Activity (Go SEA)

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