UCSF

ZINC34985844

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 4.28 7.33 -4.28 2 3 0 44 261.365 10
Lo Low (pH 4.5-6) 4.28 7.26 -31.96 3 3 1 46 262.373 10

Activity (Go SEA)

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