UCSF

ZINC37234099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.10 3.12 -51.66 4 5 1 86 315.459 9
Hi High (pH 8-9.5) 2.10 2.01 -10.91 3 5 0 81 314.451 9

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Rings

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