UCSF

ZINC33752984

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 37 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) 2.53 10.55 -52.55 0 10 -1 131 522.559 10
Lo Low (pH 4.5-6) 2.53 9.25 -23.66 1 10 0 128 523.567 10

Activity (Go SEA)

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