UCSF

ZINC37833986

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 1.88 5.67 -7.58 1 3 0 41 227.691 4
Hi High (pH 8-9.5) 1.88 6.68 -50.05 0 3 -1 43 226.683 4

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Rings

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