UCSF

ZINC41684708

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.71 1.43 -49.75 3 6 1 83 288.393 7
Hi High (pH 8-9.5) 0.71 -0.19 -13.06 2 6 0 82 287.385 7

Activity (Go SEA)

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