UCSF

ZINC36634100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 23 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) 0.26 1.96 -14.81 0 7 0 68 320.345 4
Lo Low (pH 4.5-6) 0.26 4.43 -49.41 1 7 1 70 321.353 4
Lo Low (pH 4.5-6) 0.26 4.44 -50.41 1 7 1 70 321.353 4

Activity (Go SEA)

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