UCSF

ZINC42424522

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 21 No

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) 3.94 9.62 -8.21 0 3 0 25 304.821 4
Mid Mid (pH 6-8) 3.94 9.94 -26.15 1 3 1 27 305.829 4

Activity (Go SEA)

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