UCSF

ZINC21633949

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 32 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) 3.13 4.02 -62.85 2 9 1 99 484.982 8
Mid Mid (pH 6-8) 3.13 4.93 -25.21 1 9 0 97 483.974 8

Activity (Go SEA)

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