UCSF

ZINC38212872

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 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) 1.70 3.02 -12.3 2 5 0 76 223.228 4
Hi High (pH 8-9.5) 1.70 4.03 -53.05 1 5 -1 78 222.22 4

Activity (Go SEA)

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