UCSF

ZINC19964807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 Yes

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) 2.85 4.73 -8.57 2 4 0 50 268.316 3
Lo Low (pH 4.5-6) 2.85 5.07 -39.14 3 4 1 55 269.324 3

Activity (Go SEA)

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