UCSF

ZINC48905342

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 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) 1.20 3.37 -44.74 2 5 1 63 284.405 5
Hi High (pH 8-9.5) 1.20 1.27 -9.52 1 5 0 62 283.397 5
Hi High (pH 8-9.5) 1.20 3 -34.04 1 5 0 66 283.397 5

Activity (Go SEA)

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