UCSF

ZINC37830048

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 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) -0.62 1.93 -57.21 1 5 -1 81 186.187 4
Lo Low (pH 4.5-6) -0.62 0 -17.62 2 5 0 78 187.195 4

Activity (Go SEA)

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