UCSF

ZINC39716656

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 26 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) 3.79 8.85 -62.94 2 7 -1 111 387.828 6
Mid Mid (pH 6-8) 3.79 8.65 -108.95 1 7 -2 109 386.82 6

Activity (Go SEA)

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