UCSF

ZINC20123744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 22 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) -1.70 -3.65 -23.33 2 10 0 94 312.33 4
Lo Low (pH 4.5-6) -1.70 -1.29 -49.07 3 10 1 95 313.338 4

Activity (Go SEA)

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