UCSF

ZINC42367519

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.63 8.07 -36.04 2 2 1 20 263.449 8
Hi High (pH 8-9.5) 3.63 8.79 -33.41 2 2 1 16 263.449 8
Lo Low (pH 4.5-6) 3.63 10.15 -109.75 3 2 2 21 264.457 8

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