UCSF

ZINC59460352

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 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) 4.49 5.53 -41.99 1 4 -1 60 297.444 10
Mid Mid (pH 6-8) 4.49 5.37 -10.29 2 4 0 58 298.452 10

Activity (Go SEA)

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