UCSF

ZINC13146655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 22 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) 1.60 6.93 -12.27 0 5 0 63 292.294 1
Lo Low (pH 4.5-6) 1.60 7.22 -39.85 1 5 1 65 293.302 1

Activity (Go SEA)

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