UCSF

ZINC07554082

Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2006 20 No

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) 3.80 8.39 -10.26 2 4 0 50 355.257 4
Hi High (pH 8-9.5) 3.84 7.6 -39.08 1 4 -1 51 354.249 4

Activity (Go SEA)

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