UCSF

ZINC52346121

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 17 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) 2.58 8.81 -123.09 3 2 2 21 240.366 7
Hi High (pH 8-9.5) 2.58 6.61 -37.89 2 2 1 20 239.358 7

Activity (Go SEA)

Rings

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