UCSF

ZINC28873301

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 21 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) 4.66 6.94 -11.8 1 3 0 47 282.339 2
Hi High (pH 8-9.5) 4.66 7.73 -53.49 0 3 -1 49 281.331 2

Activity (Go SEA)

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