UCSF

ZINC49252458

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 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) 2.13 5.08 -19.84 2 5 0 70 276.336 4
Hi High (pH 8-9.5) 2.13 6.09 -66.81 1 5 -1 72 275.328 4

Activity (Go SEA)

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