UCSF

ZINC04309234

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 22 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) 1.52 4.09 -14.38 2 7 0 102 320.736 3
Hi High (pH 8-9.5) 1.34 2.59 -46.84 1 7 -1 109 319.728 3

Activity (Go SEA)

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