UCSF

ZINC02805302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 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) 1.90 4.47 -10.17 1 3 0 38 225.263 6
Mid Mid (pH 6-8) 1.97 3.16 -34.9 2 3 1 43 226.271 6

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Rings

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