UCSF

ZINC38335078

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2010 24 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) 2.27 5.08 -12.27 1 5 0 53 363.767 4
Lo Low (pH 4.5-6) 2.27 7.23 -49.52 2 5 1 54 364.775 4

Activity (Go SEA)

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