UCSF

ZINC24912204

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 31 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) 3.01 8.36 -48.93 2 6 1 57 419.549 5
Mid Mid (pH 6-8) 3.01 6.09 -11.83 1 6 0 56 418.541 5

Activity (Go SEA)

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