UCSF

ZINC58210850

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 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) 1.75 1.81 -7.4 1 4 0 42 269.316 5
Mid Mid (pH 6-8) 1.75 4.12 -43.74 2 4 1 43 270.324 5

Activity (Go SEA)

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