UCSF

ZINC01969865

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 27 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 2.79 11.82 -13.71 1 8 0 88 372.425 8
Hi High (pH 8-9.5) 2.96 11.47 -37.48 0 8 -1 89 371.417 8

Activity (Go SEA)

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