UCSF

ZINC39283118

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 18 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) -0.21 7.27 -54.41 0 4 -1 62 256.159 1
Lo Low (pH 4.5-6) -0.21 5.27 -11.25 1 4 0 59 257.167 1

Activity (Go SEA)

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