UCSF

ZINC02721339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2005 24 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) 3.42 -0.55 -10.5 1 4 0 46 345.805 4
Mid Mid (pH 6-8) 0.01 -0.32 -29.45 2 4 1 48 346.813 4

Activity (Go SEA)

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