UCSF

ZINC60707924

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 19 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) 2.69 7.62 -54.08 2 2 1 29 263.311 5
Lo Low (pH 4.5-6) 2.69 8.09 -102.78 3 2 2 31 264.319 5

Activity (Go SEA)

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