UCSF

ZINC33814098

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 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) 1.84 8.79 -63.93 2 9 0 112 464.522 8
Lo Low (pH 4.5-6) 1.84 7.66 -54.25 3 9 1 109 465.53 8

Activity (Go SEA)

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