UCSF

ZINC21629244

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 28 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) 3.09 5.29 -57.24 2 7 1 80 424.93 6
Mid Mid (pH 6-8) 3.09 6.19 -17.9 1 7 0 79 423.922 6

Activity (Go SEA)

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