UCSF

ZINC06753014

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 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) 2.90 4.06 -10.13 3 6 0 89 414.259 4
Mid Mid (pH 6-8) 2.90 4.83 -49.9 2 6 -1 92 413.251 4

Activity (Go SEA)

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