UCSF

ZINC35151250

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 18 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) 2.01 6.25 -33.8 2 3 1 26 249.378 7
Mid Mid (pH 6-8) 2.01 5.1 -37.93 2 3 1 29 249.378 7
Lo Low (pH 4.5-6) 2.01 7.45 -111.01 3 3 2 30 250.386 7

Activity (Go SEA)

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