UCSF

ZINC40751533

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 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) -0.56 -3.82 -53.12 2 6 -1 97 293.221 6
Lo Low (pH 4.5-6) -1.02 -2.07 -17.61 3 6 0 94 294.229 6

Activity (Go SEA)

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