UCSF

ZINC61721652

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 18 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) -0.15 5.16 -61 0 6 -1 81 253.278 2
Lo Low (pH 4.5-6) -0.15 3.41 -19.56 1 6 0 78 254.286 2

Activity (Go SEA)

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