UCSF

ZINC44727064

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 19 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) 1.77 6.83 -36.53 1 4 0 45 293.417 2
Mid Mid (pH 6-8) 1.31 8.01 -33.05 2 4 1 42 294.425 2

Activity (Go SEA)

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