UCSF

ZINC19280356

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 20 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) 3.10 3.93 -70.37 2 5 -1 89 290.682 3
Mid Mid (pH 6-8) 3.10 4.59 -109.56 1 5 -2 92 289.674 3

Activity (Go SEA)

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