UCSF

ZINC37081998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.41 6.38 -110.1 4 2 2 32 242.794 5
Mid Mid (pH 6-8) 2.41 4.68 -40.19 3 2 1 31 241.786 5
Mid Mid (pH 6-8) 2.41 6.13 -29.12 3 2 1 30 241.786 5

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Rings

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