UCSF

ZINC35720914

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 0.36 2.82 -49.33 1 6 -1 82 271.337 9
Mid Mid (pH 6-8) 0.36 5.1 -75.76 2 6 0 83 272.345 9

Activity (Go SEA)

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