UCSF

ZINC02721347

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 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) 3.45 -0.37 -11.45 1 5 0 56 351.45 6
Mid Mid (pH 6-8) 0.04 -0.15 -33.88 2 5 1 58 352.458 6

Activity (Go SEA)

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