UCSF

ZINC20154012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.67 8.47 -47.95 3 5 1 49 387.935 7
Mid Mid (pH 6-8) 3.67 8.55 -44.91 3 5 1 49 387.935 7
Mid Mid (pH 6-8) 3.67 6.17 -10.54 2 5 0 48 386.927 7

Activity (Go SEA)

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