UCSF

ZINC11820642

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 22 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) 0.51 -0.92 -11.93 0 6 0 63 303.362 4
Lo Low (pH 4.5-6) 0.51 -0.79 -36.23 1 6 1 64 304.37 4

Activity (Go SEA)

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