UCSF

ZINC55028081

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.74 4.12 -39.21 3 2 1 37 194.298 4
Hi High (pH 8-9.5) 1.74 2.74 -3.27 2 2 0 32 193.29 4

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Rings

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