UCSF

ZINC01200822

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 24 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 2.86 -44.23 1 8 -1 114 349.344 6
Lo Low (pH 4.5-6) 0.14 4.84 -17.5 2 8 0 110 350.352 6
Lo Low (pH 4.5-6) 0.60 3.09 -42.57 1 8 -1 114 349.344 6

Activity (Go SEA)

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