UCSF

ZINC16778528

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 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) 1.69 1.79 -9.44 3 4 0 80 220.272 1
Lo Low (pH 4.5-6) 1.69 1.6 -37.95 4 4 1 82 221.28 1

Activity (Go SEA)

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