UCSF

ZINC09602024

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 33 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) 3.66 -0.75 -12.69 2 8 0 93 438.491 5
Lo Low (pH 4.5-6) 3.66 -0.64 -40.6 3 8 1 95 439.499 5

Activity (Go SEA)

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