UCSF

ZINC36134824

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) -0.42 0.24 -42.54 5 5 1 91 230.332 6
Mid Mid (pH 6-8) -0.42 -0.02 -10.66 4 5 0 89 229.324 6

Activity (Go SEA)

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