UCSF

ZINC33771840

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 38 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.42 8.36 -41.77 4 9 0 144 516.55 7
Hi High (pH 8-9.5) 1.42 6.26 -66.9 3 9 -1 139 515.542 7
Mid Mid (pH 6-8) 1.42 7.44 -53.16 3 9 -1 139 515.542 7

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