UCSF

ZINC52290661

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 12 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) 1.41 4.28 -7.76 1 3 0 38 163.224 2
Lo Low (pH 4.5-6) 1.41 4.46 -26.64 2 3 1 39 164.232 2

Activity (Go SEA)

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