UCSF

ZINC36127768

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 20 No

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) 0.63 2.22 -116.86 6 6 2 90 280.372 7
Hi High (pH 8-9.5) 0.63 0.23 -63.97 5 6 1 89 279.364 7

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Rings

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