UCSF

ZINC37139446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 3.21 6.7 -7.15 2 4 0 44 346.228 3
Mid Mid (pH 6-8) 3.21 6.91 -39.45 3 4 1 46 347.236 3

Activity (Go SEA)

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