UCSF

ZINC23453683

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2009 34 Yes

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) 3.98 11.11 -19.32 1 6 0 66 454.505 4
Lo Low (pH 4.5-6) 3.98 11.4 -49.52 2 6 1 67 455.513 4

Activity (Go SEA)

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