UCSF

ZINC02350402

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 25 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) 6.60 10.37 -43.65 0 3 -1 49 390.315 5
Mid Mid (pH 6-8) 6.60 -1.92 -11.08 1 3 0 46 391.323 5

Activity (Go SEA)

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