UCSF

ZINC37102958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.97 3.12 -36.23 4 5 1 83 282.36 7
Hi High (pH 8-9.5) 2.97 2.35 -7.39 3 5 0 79 281.352 7

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Rings

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