UCSF

ZINC39927637

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 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) 3.65 5.69 -7.03 1 2 0 33 321.22 4
Lo Low (pH 4.5-6) 3.65 6.03 -36.71 2 2 1 34 322.228 4

Activity (Go SEA)

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