UCSF

ZINC09008151

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 34 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) 1.52 4.85 -60.56 0 9 -1 116 485.538 8
Lo Low (pH 4.5-6) 1.52 4.03 -18.57 1 9 0 113 486.546 8

Activity (Go SEA)

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