UCSF

ZINC45624300

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 0.77 3.67 -10.69 2 4 0 50 322.206 2
Lo Low (pH 4.5-6) 0.77 5.91 -44.86 3 4 1 51 323.214 2

Activity (Go SEA)

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