UCSF

ZINC01804129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 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) 2.94 0.03 -11.75 0 3 0 34 326.446 2
Lo Low (pH 4.5-6) 2.94 0.13 -53.73 1 3 1 36 327.454 2

Activity (Go SEA)

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