UCSF

ZINC28712683

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 21 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) 3.72 8.12 -58.32 0 4 -1 66 277.255 1
Mid Mid (pH 6-8) 3.72 7.12 -15.54 1 4 0 64 278.263 1

Activity (Go SEA)

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