UCSF

ZINC20160244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 20 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) -0.96 4.4 -54.18 0 7 -1 90 283.304 4
Lo Low (pH 4.5-6) -0.96 3.28 -20.22 1 7 0 87 284.312 4

Activity (Go SEA)

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