UCSF

ZINC28781103

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 18 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) 2.03 5.97 -12.8 1 3 0 42 244.269 3
Lo Low (pH 4.5-6) 2.03 6.39 -48 2 3 1 43 245.277 3

Activity (Go SEA)

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