UCSF

ZINC59145856

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 20 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) -1.03 6.09 -41.9 3 6 0 101 275.308 3
Mid Mid (pH 6-8) -1.03 5.55 -32.84 3 6 0 101 275.308 3
Mid Mid (pH 6-8) -1.03 5.65 -65.55 2 6 -1 99 274.3 3

Activity (Go SEA)

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