UCSF

ZINC23883063

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 30 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) 4.21 11.25 -38.07 2 5 1 44 409.529 7
Lo Low (pH 4.5-6) 4.21 10.24 -42.72 2 5 1 47 409.529 7

Activity (Go SEA)

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