UCSF

ZINC04821853

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 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) 4.64 10.65 -7.56 1 2 0 29 270.335 2
Lo Low (pH 4.5-6) 4.64 10.5 -24.94 2 2 1 30 271.343 2

Activity (Go SEA)

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