UCSF

ZINC42452863

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.57 5.8 -107.5 5 4 2 65 316.243 8
Mid Mid (pH 6-8) 2.57 3.31 -34.95 4 4 1 64 315.235 8

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Rings

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