UCSF

ZINC05906609

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 19 No

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) 1.46 3.16 -10.4 2 6 0 83 344.19 3
Hi High (pH 8-9.5) 1.46 4.04 -43.75 1 6 -1 86 343.182 3
Mid Mid (pH 6-8) 1.46 4.08 -45.73 1 6 -1 86 343.182 3

Activity (Go SEA)

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