UCSF

ZINC04702989

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 25 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) 2.17 1.42 -12.56 3 8 0 109 343.339 6
Hi High (pH 8-9.5) 2.17 2.2 -54.78 2 8 -1 112 342.331 6
Lo Low (pH 4.5-6) 2.17 1.78 -37.58 4 8 1 111 344.347 6

Activity (Go SEA)

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