UCSF

ZINC01122547

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 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) 2.23 8.49 -54.62 0 9 -1 133 393.331 6
Lo Low (pH 4.5-6) 2.23 7.75 -15.31 1 9 0 130 394.339 6

Activity (Go SEA)

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