UCSF

ZINC21953302

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 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) 3.86 6.45 -7.86 2 2 0 39 283.194 2
Lo Low (pH 4.5-6) 3.86 6.9 -32.88 3 2 1 40 284.202 2

Activity (Go SEA)

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