UCSF

ZINC36634103

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 22 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) 0.60 3.59 -14.14 0 6 0 59 304.346 4
Lo Low (pH 4.5-6) 0.60 6.06 -47.54 1 6 1 60 305.354 4
Lo Low (pH 4.5-6) 0.60 6.07 -48.24 1 6 1 60 305.354 4

Activity (Go SEA)

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