UCSF

ZINC33814266

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) 2.10 8.4 -50.34 0 9 -1 105 464.498 9
Lo Low (pH 4.5-6) 2.10 7.27 -23.06 1 9 0 103 465.506 9

Activity (Go SEA)

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