UCSF

ZINC21533153

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 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) 0.81 7.77 -22.24 1 9 0 85 464.57 7
Mid Mid (pH 6-8) 0.81 10.11 -59.05 2 9 1 86 465.578 7

Activity (Go SEA)

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