UCSF

ZINC05664858

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 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) 2.84 5.38 -55.01 0 4 -1 59 247.27 5
Lo Low (pH 4.5-6) 2.84 4.82 -8.4 1 4 0 56 248.278 5

Activity (Go SEA)

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