UCSF

ZINC17029319

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 25 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) 2.96 4.29 -44.73 0 6 -1 84 400.208 3
Lo Low (pH 4.5-6) 2.50 6.93 -10.16 1 6 0 81 401.216 3

Activity (Go SEA)

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