UCSF

ZINC06051460

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 18 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) 2.23 7.17 -41.04 2 6 1 79 252.294 4
Hi High (pH 8-9.5) 2.23 4.78 -7.64 1 6 0 78 251.286 4

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Rings

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