UCSF

ZINC49538412

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 16 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) 1.99 5.71 -6.28 0 3 0 30 239.34 4
Mid Mid (pH 6-8) 1.99 7.76 -40.04 1 3 1 31 240.348 4

Activity (Go SEA)

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