UCSF

ZINC45905622

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 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) 2.88 8.56 -43.56 2 4 1 37 276.404 5
Mid Mid (pH 6-8) 2.88 6.43 -6.16 1 4 0 36 275.396 5

Activity (Go SEA)

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