UCSF

ZINC39750345

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 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) 4.28 11.76 -20.5 2 7 0 101 456.527 8
Hi High (pH 8-9.5) 4.35 10.8 -54.68 1 7 -1 107 455.519 8

Activity (Go SEA)

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