UCSF

ZINC20225398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 13 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) 1.11 5.03 -113.63 4 2 2 32 180.295 4
Mid Mid (pH 6-8) 1.11 3 -43 3 2 1 31 179.287 4

Activity (Go SEA)

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