UCSF

ZINC12231316

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 27 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) 1.98 1.17 -9.72 1 8 0 91 364.409 3
Mid Mid (pH 6-8) 1.98 1.36 -32.78 2 8 1 92 365.417 3

Activity (Go SEA)

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