UCSF

ZINC57920473

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 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) 1.20 5.21 -45.92 3 7 1 85 363.482 8
Mid Mid (pH 6-8) 1.20 2.97 -11.79 2 7 0 84 362.474 8

Activity (Go SEA)

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