UCSF

ZINC17215337

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 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) 0.57 3.23 -22.92 2 6 0 96 270.244 3
Mid Mid (pH 6-8) 1.47 2.16 -56.63 1 6 -1 99 269.236 3

Activity (Go SEA)

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