UCSF

ZINC08821057

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 No

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) 6.53 13.15 -22.63 1 7 0 104 419.462 4
Mid Mid (pH 6-8) 6.04 13.09 -65.1 0 7 -1 103 418.454 5

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