UCSF

ZINC04175827

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 23 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) 5.18 8.27 -9.99 2 4 0 58 364.257 4
Hi High (pH 8-9.5) 5.18 9.03 -45.24 1 4 -1 60 363.249 4
Mid Mid (pH 6-8) 5.18 8.6 -38.85 3 4 1 59 365.265 4

Activity (Go SEA)

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