UCSF

ZINC50065615

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 16 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) 1.05 7.1 -43.67 1 5 1 57 232.3 9
Mid Mid (pH 6-8) 1.05 5.35 -9.9 0 5 0 56 231.292 9

Activity (Go SEA)

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