UCSF

ZINC06157070

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2006 37 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) 7.06 12.21 -10.93 3 5 0 77 519.548 6
Lo Low (pH 4.5-6) 7.06 12.41 -31.92 4 5 1 78 520.556 6

Activity (Go SEA)

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