UCSF

ZINC37188690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 3.34 5.79 -42.55 2 3 1 33 351.252 7
Hi High (pH 8-9.5) 3.34 4.43 -1.84 1 3 0 28 350.244 7
Mid Mid (pH 6-8) 3.34 7.84 -115.81 3 3 2 34 352.26 7
Mid Mid (pH 6-8) 3.34 6.45 -31.6 2 3 1 30 351.252 7

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Rings

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