UCSF

ZINC52215448

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 11 No

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) -0.40 3.66 -52.63 1 4 -1 69 156.161 3
Lo Low (pH 4.5-6) -0.40 1.68 -14.89 2 4 0 66 157.169 3

Activity (Go SEA)

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