UCSF

ZINC11839123

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 28 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) 2.36 -2.21 -20.93 1 5 0 62 397.906 5
Lo Low (pH 4.5-6) 2.36 -2.08 -42.69 2 5 1 64 398.914 5

Activity (Go SEA)

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