UCSF

ZINC32014516

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.13 3.69 -32.74 3 3 1 46 224.324 6
Hi High (pH 8-9.5) 2.13 2.54 -4.82 2 3 0 41 223.316 6

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