UCSF

ZINC37116438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 2.25 0.26 -12.65 5 5 0 96 244.25 2
Hi High (pH 8-9.5) 2.25 1.27 -57.31 4 5 -1 98 243.242 2

Activity (Go SEA)

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