UCSF

ZINC26539203

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) 2.11 2.79 -59.51 2 5 -1 91 325.316 4
Lo Low (pH 4.5-6) 2.11 3.44 -21.61 3 5 0 89 326.324 4

Activity (Go SEA)

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