UCSF

ZINC23763211

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 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) 3.59 9.47 -11.07 2 4 0 58 367.518 5
Lo Low (pH 4.5-6) 3.59 10.14 -76.62 3 4 1 62 368.526 5

Activity (Go SEA)

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