UCSF

ZINC52212874

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 13 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) -0.06 0.67 -49.28 3 4 1 63 207.319 6
Hi High (pH 8-9.5) -0.06 -0.69 -9.09 2 4 0 58 206.311 6

Activity (Go SEA)

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