UCSF

ZINC16341707

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 17 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) 2.17 4.6 -43.82 2 4 1 43 322.248 7
Mid Mid (pH 6-8) 2.17 2.34 -9.66 1 4 0 42 321.24 7

Activity (Go SEA)

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