UCSF

ZINC59638391

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 19 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) 2.19 5.54 -20.6 2 5 0 70 249.277 2
Lo Low (pH 4.5-6) 2.19 6.08 -36.35 3 5 1 72 250.285 2

Activity (Go SEA)

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