UCSF

ZINC42251486

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 1.44 3.21 -5.76 0 4 0 39 213.277 3
Lo Low (pH 4.5-6) 1.44 5.31 -35.86 1 4 1 40 214.285 3

Activity (Go SEA)

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