UCSF

ZINC53113007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 Yes

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) 2.37 5.67 -45.7 3 3 1 61 259.373 4
Hi High (pH 8-9.5) 2.37 4.45 -6.22 2 3 0 56 258.365 4

Activity (Go SEA)

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