UCSF

ZINC62951706

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 1.79 6.97 -26.74 3 3 1 43 262.421 5
Mid Mid (pH 6-8) 1.79 5.25 -38.16 3 3 1 44 262.421 5

Activity (Go SEA)

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