UCSF

ZINC34687807

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 32 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) 5.53 12.14 -55.91 2 5 1 50 487.637 8
Hi High (pH 8-9.5) 5.53 9.9 -12.37 1 5 0 48 486.629 8

Activity (Go SEA)

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