UCSF

ZINC39849372

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 33 No

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) 2.15 10.88 -80.86 1 8 0 96 454.523 11
Lo Low (pH 4.5-6) 2.15 10 -53.68 2 8 1 94 455.531 11

Activity (Go SEA)

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