UCSF

ZINC37333906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 2.95 8.22 -40.76 1 2 1 22 304.151 4
Mid Mid (pH 6-8) 2.95 5.96 -5.86 0 2 0 20 303.143 4

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Rings

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