UCSF

ZINC28223143

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 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) 4.22 8.13 -29.56 2 2 1 26 243.374 2
Hi High (pH 8-9.5) 4.22 7.65 -3.89 1 2 0 25 242.366 2

Activity (Go SEA)

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