UCSF

ZINC36222599

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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 2.09 -44.07 2 5 0 79 192.174 1
Mid Mid (pH 6-8) 1.07 1.65 -58.59 1 5 -1 78 191.166 1

Activity (Go SEA)

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