UCSF

ZINC21814738

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 2.05 1.74 -101.2 0 7 -2 114 314.706 4
Lo Low (pH 4.5-6) 2.05 2.29 -57.15 1 7 -1 112 315.714 4

Activity (Go SEA)

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