UCSF

ZINC36694385

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 5.60 14.72 -57.59 1 4 1 38 428.647 9
Hi High (pH 8-9.5) 5.60 12.64 -15.64 0 4 0 36 427.639 9

Activity (Go SEA)

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