UCSF

ZINC13671520

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 14 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) 1.58 1.33 -13.23 1 4 0 55 215.274 4
Hi High (pH 8-9.5) 1.58 1.4 -42.76 0 4 -1 57 214.266 4

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Rings

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