UCSF

ZINC04643342

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2005 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.46 7.1 -8.4 2 5 0 67 269.304 3
Lo Low (pH 4.5-6) 2.64 7.48 -38.14 3 5 1 72 270.312 3

Activity (Go SEA)

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