UCSF

ZINC02721317

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) 4.75 0.37 -12.27 1 5 0 56 351.45 7
Mid Mid (pH 6-8) 1.34 0.6 -33.67 2 5 1 58 352.458 7

Activity (Go SEA)

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