UCSF

ZINC37979732

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 21 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) 1.77 6.58 -7.66 0 4 0 46 322.195 4
Lo Low (pH 4.5-6) 1.77 7.04 -44.24 1 4 1 47 323.203 4

Activity (Go SEA)

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