UCSF

ZINC44430365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 23 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) 3.84 4.05 -48.06 5 5 1 86 323.457 11
Hi High (pH 8-9.5) 3.84 3.67 -8.56 4 5 0 85 322.449 11

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Rings

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