UCSF

ZINC41363635

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 12 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) -0.16 0.69 -37.15 2 4 1 37 172.252 2
Mid Mid (pH 6-8) -0.16 0.49 -36.24 2 4 1 37 172.252 2
Mid Mid (pH 6-8) -0.16 -1.69 -8.33 1 4 0 36 171.244 2

Activity (Go SEA)

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