UCSF

ZINC42453327

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 No

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) 1.14 3.22 -7.89 3 5 0 75 226.255 5
Lo Low (pH 4.5-6) 1.14 3.6 -33.29 4 5 1 76 227.263 5

Activity (Go SEA)

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