UCSF

ZINC06384920

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2006 23 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) 1.55 4.57 -43.7 1 7 -1 109 336.393 3
Hi High (pH 8-9.5) 1.70 3.27 -42.12 1 7 -1 115 336.393 3
Mid Mid (pH 6-8) 1.51 5.3 -14.23 2 7 0 108 337.401 3

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