UCSF

ZINC21531367

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 30 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) 3.12 4.64 -60.18 2 8 1 89 454.956 7
Mid Mid (pH 6-8) 3.12 5.56 -25.54 1 8 0 88 453.948 7

Activity (Go SEA)

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