UCSF

ZINC49238800

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 No

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) 0.74 2.29 -39.22 4 6 1 90 271.366 8
Mid Mid (pH 6-8) 0.56 1.81 -45.63 3 6 0 96 270.358 8

Activity (Go SEA)

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