UCSF

ZINC49548240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 29 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) 3.62 8.65 -12.04 2 6 0 72 413.474 6
Lo Low (pH 4.5-6) 3.80 7.35 -36.29 3 6 1 78 414.482 6

Activity (Go SEA)

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