UCSF

ZINC26920148

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 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) 1.58 6.29 -7.67 1 4 0 62 238.294 3
Lo Low (pH 4.5-6) 1.58 6.73 -37.34 2 4 1 63 239.302 3

Activity (Go SEA)

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