UCSF

ZINC26516533

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 14 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) 3.09 5.06 -7.37 3 3 0 55 193.294 3
Lo Low (pH 4.5-6) 3.09 5.18 -31.1 4 3 1 56 194.302 3

Activity (Go SEA)

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