UCSF

ZINC72016006

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2012 22 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) 2.22 3.58 -53.5 1 6 -1 94 314.346 4
Mid Mid (pH 6-8) 2.22 3.42 -15.8 2 6 0 92 315.354 4

Activity (Go SEA)

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