UCSF

ZINC39355700

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 35 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) 2.83 7.32 -109.26 3 7 2 79 497.039 5
Hi High (pH 8-9.5) 2.83 5.41 -38.56 2 7 1 78 496.031 5
Lo Low (pH 4.5-6) 2.83 9.64 -193.28 4 7 3 80 498.047 5

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