UCSF

ZINC27419627

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 24 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) -0.96 4.87 -121.18 3 6 0 93 331.347 4
Mid Mid (pH 6-8) -3.71 3.91 -89.35 4 6 1 96 332.355 3

Activity (Go SEA)

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