UCSF

ZINC37794243

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) -1.43 0.36 -70.55 3 8 -1 130 251.222 5
Lo Low (pH 4.5-6) -1.43 -1.59 -30.23 4 8 0 127 252.23 5

Activity (Go SEA)

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