UCSF

ZINC41685273

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) -0.05 5.7 -48.11 2 6 1 76 269.321 9
Mid Mid (pH 6-8) -0.05 4.35 -13.03 1 6 0 72 268.313 9

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Rings

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