UCSF

ZINC22015594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 22 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) 1.99 8.16 -52.42 0 7 -1 106 307.326 7
Lo Low (pH 4.5-6) 1.99 7.04 -13.16 1 7 0 103 308.334 7

Activity (Go SEA)

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