UCSF

ZINC22463555

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 26 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) 4.80 7.42 -11.79 1 5 0 60 368.82 2
Lo Low (pH 4.5-6) 4.80 7.82 -36.3 2 5 1 62 369.828 2

Activity (Go SEA)

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