UCSF

ZINC11841231

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 35 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) 4.17 -1.04 -44.16 2 7 0 93 478.637 7
Lo Low (pH 4.5-6) 4.17 -0.9 -98.97 3 7 1 94 479.645 7

Activity (Go SEA)

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