UCSF

ZINC00936919

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 32 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) 3.74 12.74 -14.36 1 9 0 100 435.484 9
Lo Low (pH 4.5-6) 3.91 12.9 -34.71 2 9 1 105 436.492 9

Activity (Go SEA)

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