UCSF

ZINC20379744

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 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) 3.67 6.47 -3.52 1 2 0 36 222.376 4
Mid Mid (pH 6-8) 3.67 7.37 -42.58 2 2 1 40 223.384 4

Activity (Go SEA)

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