UCSF

ZINC27114570

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 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) 1.96 4.11 -15.9 1 5 0 65 273.336 4
Lo Low (pH 4.5-6) 1.96 6.36 -50.35 2 5 1 67 274.344 4

Activity (Go SEA)

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