UCSF

ZINC17180144

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 32 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) 3.44 7.19 -63.44 1 7 -1 99 438.5 9
Lo Low (pH 4.5-6) 3.44 6.37 -16.93 2 7 0 96 439.508 9

Activity (Go SEA)

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