UCSF

ZINC14532311

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 33 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) 2.27 8.37 -19.48 2 10 0 112 454.531 10
Lo Low (pH 4.5-6) 2.27 8.64 -42.75 3 10 1 114 455.539 10

Activity (Go SEA)

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