UCSF

ZINC39200294

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2010 19 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) 2.29 8.23 -43.3 1 3 1 25 279.429 2
Mid Mid (pH 6-8) 2.29 6.07 -8.81 0 3 0 24 278.421 2

Activity (Go SEA)

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