UCSF

ZINC31025247

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 32 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 5.94 -22.61 2 8 0 109 453.52 6
Mid Mid (pH 6-8) 1.82 6.01 -50.39 1 8 -1 111 452.512 6

Activity (Go SEA)

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