UCSF

ZINC37833105

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.72 8.47 -59.88 0 5 -1 70 292.355 7
Lo Low (pH 4.5-6) 1.72 6.51 -12.3 1 5 0 67 293.363 7

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Rings

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