UCSF

ZINC10233049

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 30 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) 3.83 0.7 -14.84 0 6 0 76 437.908 2
Lo Low (pH 4.5-6) 3.83 0.81 -42.43 1 6 1 77 438.916 2

Activity (Go SEA)

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