UCSF

ZINC20635967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 16 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) 3.74 6.02 -4.97 3 3 0 55 280.169 2
Lo Low (pH 4.5-6) 3.74 6.08 -33.94 4 3 1 56 281.177 2

Activity (Go SEA)

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