UCSF

ZINC32192938

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 29 No

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) 1.69 5.25 -45.47 0 8 -1 117 394.338 5
Lo Low (pH 4.5-6) 1.23 7.01 -17.45 1 8 0 114 395.346 5

Activity (Go SEA)

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