UCSF

ZINC33757235

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 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) 1.26 6.63 -54.49 0 9 -1 104 480.541 10
Mid Mid (pH 6-8) 1.26 8.96 -69.62 1 9 0 105 481.549 10
Lo Low (pH 4.5-6) 1.26 7.66 -56.88 2 9 1 103 482.557 10

Activity (Go SEA)

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