UCSF

ZINC72043325

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2012 32 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) 5.54 9.05 -49.94 1 6 -1 87 471.986 8
Mid Mid (pH 6-8) 5.54 8.54 -13.99 2 6 0 85 472.994 8

Activity (Go SEA)

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