UCSF

ZINC35017346

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 No

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) 1.88 7.47 -46.66 1 9 -1 126 489.979 11
Mid Mid (pH 6-8) 2.63 8.59 -24.15 2 9 0 120 490.987 12

Activity (Go SEA)

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