UCSF

ZINC39260109

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 30 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) 6.13 14.74 -49.25 2 4 1 38 412.642 11
Hi High (pH 8-9.5) 6.13 12.93 -10.44 1 4 0 37 411.634 11

Activity (Go SEA)

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