UCSF

ZINC37839191

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 No

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) 1.99 9.08 -20.76 0 4 0 47 263.337 6
Hi High (pH 8-9.5) 2.00 8.05 -59.48 0 4 -1 53 262.329 6

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Rings

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