UCSF

ZINC49004078

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 2.79 10.27 -23.88 1 6 0 77 406.511 3
Lo Low (pH 4.5-6) 2.79 10.67 -41.4 2 6 1 78 407.519 3

Activity (Go SEA)

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