UCSF

ZINC09919869

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2007 31 Yes

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) 3.81 -0.75 -48.81 2 5 1 59 411.529 8
Lo Low (pH 4.5-6) 3.81 -0.62 -102.41 3 5 2 60 412.537 8

Activity (Go SEA)

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