UCSF

ZINC33814212

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 33 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) 2.86 9.72 -53.08 0 8 -1 96 446.483 9
Lo Low (pH 4.5-6) 2.86 8.59 -22.93 1 8 0 93 447.491 9

Activity (Go SEA)

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