UCSF

ZINC39121664

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 14 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) 2.07 0.42 -9.59 3 4 0 72 214.29 3
Mid Mid (pH 6-8) 2.07 0.55 -40.6 2 4 -1 74 213.282 3

Activity (Go SEA)

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