UCSF

ZINC13476448

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 30 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) 2.95 8.02 -20.25 2 12 0 175 413.346 6
Mid Mid (pH 6-8) 3.41 6.27 -37.11 1 12 -1 178 412.338 6

Activity (Go SEA)

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