UCSF

ZINC32112785

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 1.70 3.23 -6.35 2 3 0 45 262.74 5
Lo Low (pH 4.5-6) 1.70 4.74 -48.41 3 3 1 50 263.748 5
Lo Low (pH 4.5-6) 1.70 3.67 -35.97 3 3 1 46 263.748 5

Activity (Go SEA)

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