UCSF

ZINC39229373

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 27 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) 2.70 9.61 -39.88 3 5 1 62 361.469 4
Hi High (pH 8-9.5) 2.70 8.3 -12.36 2 5 0 57 360.461 4

Activity (Go SEA)

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