UCSF

ZINC39271785

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 23 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) 3.78 8.02 -12.24 2 5 0 70 347.465 5
Mid Mid (pH 6-8) 3.78 8.41 -25.78 3 5 1 71 348.473 5

Activity (Go SEA)

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