UCSF

ZINC35055477

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) 2.12 5.76 -49.52 2 4 1 53 262.377 9
Mid Mid (pH 6-8) 2.12 6.57 -39.68 2 4 1 49 262.377 9

Activity (Go SEA)

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