UCSF

ZINC18006372

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 3.24 7.42 -55.82 0 5 -1 70 401.236 4
Lo Low (pH 4.5-6) 3.24 6.67 -13.07 1 5 0 67 402.244 4

Activity (Go SEA)

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