UCSF

ZINC42256225

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.86 7.07 -7.37 0 2 0 27 257.164 5
Mid Mid (pH 6-8) 2.86 9.21 -54.97 1 2 1 28 258.172 5

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Rings

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