UCSF

ZINC18061159

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 27 Yes

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) 3.25 6.67 -14.77 3 6 0 98 387.505 4
Lo Low (pH 4.5-6) 3.25 7 -29.16 4 6 1 100 388.513 4
Lo Low (pH 4.5-6) 3.25 3.55 -31.48 4 6 1 100 388.513 4

Activity (Go SEA)

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