UCSF

ZINC02490688

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 15 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) 2.55 7.5 -36.71 2 2 1 20 201.293 1
Mid Mid (pH 6-8) 2.55 5.25 -5.15 1 2 0 19 200.285 1

Activity (Go SEA)

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