UCSF

ZINC35340507

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 19 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) 2.44 2.21 -7.82 4 4 0 71 257.337 2
Mid Mid (pH 6-8) 2.44 2.7 -30.14 5 4 1 72 258.345 2

Activity (Go SEA)

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