UCSF

ZINC36986522

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 No

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) 4.31 6.09 -10.42 2 3 0 53 294.464 1
Mid Mid (pH 6-8) 4.53 6.38 -8.12 3 3 0 55 294.464 1

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