UCSF

ZINC35121133

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) 2.24 7.43 -82.66 3 4 2 43 246.358 5
Mid Mid (pH 6-8) 2.24 7.33 -44 2 4 1 42 245.35 5

Activity (Go SEA)

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