UCSF

ZINC04848488

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 27 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) 4.56 -2.21 -10.39 2 5 0 58 379.847 5
Mid Mid (pH 6-8) 4.56 -2.03 -34.19 3 5 1 60 380.855 5

Activity (Go SEA)

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