UCSF

ZINC55149664

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 21 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) 1.88 6.51 -54.59 1 6 -1 102 289.311 7
Lo Low (pH 4.5-6) 1.88 4.53 -18.09 2 6 0 99 290.319 7

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Rings

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