UCSF

ZINC47737788

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2010 23 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) 1.32 6.21 -43.1 3 7 1 79 319.385 9
Mid Mid (pH 6-8) 1.32 5.69 -16.18 2 7 0 77 318.377 9

Activity (Go SEA)

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