UCSF

ZINC36457776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 20 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) 2.77 7.09 -52.35 2 4 1 46 267.356 2
Lo Low (pH 4.5-6) 2.77 7.25 -90.97 3 4 2 47 268.364 2

Activity (Go SEA)

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