UCSF

ZINC36134722

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) -1.24 1.81 -14.72 3 5 0 75 249.314 5
Mid Mid (pH 6-8) -1.24 2.14 -49.34 4 5 1 77 250.322 5

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Rings

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