UCSF

ZINC02721257

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) 4.06 -0.6 -10.67 1 4 0 46 321.424 6
Mid Mid (pH 6-8) 0.65 -0.44 -32.07 2 4 1 48 322.432 6

Activity (Go SEA)

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