UCSF

ZINC35121297

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 1.86 4.82 -27.84 3 4 1 59 250.366 3
Mid Mid (pH 6-8) 1.86 4.34 -8.23 2 4 0 58 249.358 3

Activity (Go SEA)

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