UCSF

ZINC40185900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.04 14.19 -12.09 1 5 0 56 449.554 7
Mid Mid (pH 6-8) 6.04 14.76 -36.73 2 5 1 57 450.562 7

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