UCSF

ZINC41685338

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) 1.07 6.81 -45.69 2 5 1 63 271.381 8
Hi High (pH 8-9.5) 1.07 5.45 -8.22 1 5 0 59 270.373 8

Activity (Go SEA)

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