UCSF

ZINC37835367

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.39 5.14 -54.17 2 6 -1 104 342.169 7
Lo Low (pH 4.5-6) 0.39 3.16 -15.64 3 6 0 101 343.177 7

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Rings

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