UCSF

ZINC39360369

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 23 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) 2.40 10.53 -7.02 1 4 0 41 308.429 3
Lo Low (pH 4.5-6) 2.40 11.75 -112.25 3 4 2 47 310.445 3

Activity (Go SEA)

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