UCSF

ZINC41685503

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 0.73 6.4 -54.14 3 6 1 96 290.343 9
Hi High (pH 8-9.5) 0.73 5.04 -11.82 2 6 0 91 289.335 9

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Rings

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