UCSF

ZINC60701100

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 21 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) 5.26 10.42 -29.7 2 2 1 29 324.275 6
Hi High (pH 8-9.5) 5.26 8.78 -4.3 1 2 0 25 323.267 6
Lo Low (pH 4.5-6) 5.26 9.55 -29.51 2 2 1 26 324.275 6

Activity (Go SEA)

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