UCSF

ZINC34975867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 2.40 5.77 -5.9 3 3 0 55 217.247 2
Mid Mid (pH 6-8) 2.40 5.87 -31.1 4 3 1 56 218.255 2

Activity (Go SEA)

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