UCSF

ZINC37220468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 3.33 6.24 -32.31 2 3 1 29 265.421 6
Mid Mid (pH 6-8) 3.33 7.38 -31.17 2 3 1 26 265.421 6
Lo Low (pH 4.5-6) 3.33 8.35 -108.44 3 3 2 30 266.429 6

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Rings

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