UCSF

ZINC35031790

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 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) 3.68 8.92 -15.65 0 6 0 58 416.953 3
Mid Mid (pH 6-8) 3.68 11.04 -59.91 1 6 1 60 417.961 3

Activity (Go SEA)

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