UCSF

ZINC20358912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 27 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) 3.14 3.94 -13.34 1 6 0 72 367.401 4
Lo Low (pH 4.5-6) 3.14 6.22 -49.92 2 6 1 73 368.409 4

Activity (Go SEA)

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