UCSF

ZINC12530336

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 23 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) 1.82 7.78 -42.93 1 6 1 58 316.381 5
Hi High (pH 8-9.5) 1.82 7.36 -13.26 0 6 0 57 315.373 5
Mid Mid (pH 6-8) 1.82 10.16 -106.23 2 6 2 59 317.389 5

Activity (Go SEA)

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