UCSF

ZINC71163052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 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) 4.19 8.09 -30.89 2 2 1 29 281.489 4
Hi High (pH 8-9.5) 4.19 7.3 -4.17 1 2 0 25 280.481 4

Activity (Go SEA)

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