UCSF

ZINC20635962

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) 3.75 6.22 -5.04 3 3 0 55 280.169 3
Lo Low (pH 4.5-6) 3.76 6.21 -31.44 4 3 1 56 281.177 3

Activity (Go SEA)

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