UCSF

ZINC23651463

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 26 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) 4.43 10.81 -43.41 2 4 1 37 352.502 5
Mid Mid (pH 6-8) 4.43 8.35 -11.11 1 4 0 36 351.494 5

Activity (Go SEA)

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