UCSF

ZINC00213843

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 16 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) 2.00 6.07 -10.14 1 5 0 58 217.276 1
Lo Low (pH 4.5-6) 2.00 6.8 -31.8 2 5 1 59 218.284 1

Activity (Go SEA)

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