UCSF

ZINC35100194

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 31 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) 5.36 12.59 -12.35 0 5 0 44 431.665 11
Mid Mid (pH 6-8) 5.36 14.8 -64.05 1 5 1 45 432.673 11

Activity (Go SEA)

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