UCSF

ZINC36999922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 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) 3.69 8.74 -44.81 2 1 1 17 301.273 4
Hi High (pH 8-9.5) 3.69 7.85 -4.4 1 1 0 12 300.265 4

Activity (Go SEA)

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