UCSF

ZINC40100996

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 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) 5.01 10.81 -57.28 0 5 -1 70 457.344 8
Lo Low (pH 4.5-6) 5.01 10.05 -13.04 1 5 0 67 458.352 8

Activity (Go SEA)

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