UCSF

ZINC45070527

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 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) 3.23 5.45 -44.98 3 3 1 40 330.29 6
Mid Mid (pH 6-8) 3.23 6.94 -116.06 4 3 2 41 331.298 6

Activity (Go SEA)

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