UCSF

ZINC38148335

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 22 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) 4.19 8.71 -59.18 1 4 -1 69 343.23 3
Lo Low (pH 4.5-6) 4.19 6.78 -16.23 2 4 0 66 344.238 3

Activity (Go SEA)

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