UCSF

ZINC50889641

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2010 16 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) 2.97 5.51 -11.62 3 3 0 51 237.372 6
Lo Low (pH 4.5-6) 2.97 5.99 -44.95 4 3 1 52 238.38 6

Activity (Go SEA)

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