UCSF

ZINC05820882

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 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) 3.66 3.98 -51.56 3 5 -1 101 329.457 15
Lo Low (pH 4.5-6) 3.66 2.86 -13.59 4 5 0 98 330.465 15

Activity (Go SEA)

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