UCSF

ZINC42779018

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 3.60 4.76 -5.73 1 3 0 36 256.777 4
Lo Low (pH 4.5-6) 3.60 5.44 -23.63 2 3 1 38 257.785 4

Activity (Go SEA)

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