UCSF

ZINC20274833

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 29 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) 4.26 8.24 -11.4 1 6 0 54 438.355 7
Mid Mid (pH 6-8) 4.26 10.57 -43.36 2 6 1 55 439.363 7

Activity (Go SEA)

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