UCSF

ZINC37243636

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) -1.33 -1.57 -54.22 5 7 1 104 268.293 6
Hi High (pH 8-9.5) -1.33 -1.95 -9.28 4 7 0 103 267.285 6
Hi High (pH 8-9.5) -1.14 -2.9 -55.87 4 7 0 111 267.285 6

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Rings

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