UCSF

ZINC39296225

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 20 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) 2.93 6.99 -10.06 0 3 0 33 325.22 1
Lo Low (pH 4.5-6) 2.93 7.16 -31.64 1 3 1 34 326.228 1

Activity (Go SEA)

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