UCSF

ZINC39643228

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 16 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) -1.19 2.52 -40.09 3 5 0 86 223.228 2
Hi High (pH 8-9.5) -1.19 1.21 -50.38 2 5 -1 82 222.22 2

Activity (Go SEA)

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