UCSF

ZINC25146278

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 32 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) 6.24 11.81 -10.6 1 4 0 49 451.904 3
Lo Low (pH 4.5-6) 6.24 12.13 -34.21 2 4 1 50 452.912 3

Activity (Go SEA)

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