UCSF

ZINC04166687

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 31 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) 3.18 2.22 -15.34 4 8 0 126 478.306 2
Hi High (pH 8-9.5) 3.25 0.2 -44.67 2 8 -1 128 477.298 2
Lo Low (pH 4.5-6) 3.18 2.51 -55.6 5 8 1 128 479.314 2

Activity (Go SEA)

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