UCSF

ZINC19877136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 2.81 5.19 -12.89 1 5 0 51 385.302 7
Mid Mid (pH 6-8) 3.00 3.82 -40.5 2 5 1 55 386.31 7

Activity (Go SEA)

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