UCSF

ZINC33539362

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

    None

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) 4.01 11.22 -32.6 1 7 0 104 394.427 4
Mid Mid (pH 6-8) 4.01 10.43 -47.48 2 7 1 101 395.435 4

Activity (Go SEA)

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