UCSF

ZINC29130179

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 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) 1.74 4.35 -70.56 1 7 -1 90 359.381 4
Lo Low (pH 4.5-6) 1.74 3.77 -17.75 2 7 0 87 360.389 4

Activity (Go SEA)

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