UCSF

ZINC60295932

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 18 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) 2.11 7.31 -61.09 2 4 0 47 260.366 2
Mid Mid (pH 6-8) 1.39 7.16 -46.9 3 4 1 50 261.374 2

Activity (Go SEA)

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