UCSF

ZINC19231133

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 14 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) 0.54 2.15 -11.28 3 4 0 68 191.234 4
Lo Low (pH 4.5-6) 0.54 2.49 -34.71 4 4 1 69 192.242 4

Activity (Go SEA)

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