UCSF

ZINC11915373

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 28 No

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) 4.01 0.98 -12.64 1 5 0 67 379.456 6
Mid Mid (pH 6-8) 3.42 0.89 -20.15 0 5 0 64 379.456 6

Activity (Go SEA)

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