UCSF

ZINC65503633

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 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) 1.42 5.11 -47.65 2 5 1 67 248.306 7
Mid Mid (pH 6-8) 1.42 2.82 -12.18 1 5 0 65 247.298 7

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Rings

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