UCSF

ZINC43899415

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 15 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) 2.05 3.96 -34.9 2 3 1 29 215.361 6
Lo Low (pH 4.5-6) 2.05 5.99 -112.03 3 3 2 30 216.369 6

Activity (Go SEA)

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