UCSF

ZINC60140388

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 16 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) 2.63 2.52 -4.26 4 4 0 71 224.304 6
Lo Low (pH 4.5-6) 2.63 2.4 -36.72 5 4 1 72 225.312 6

Activity (Go SEA)

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