UCSF

ZINC35721071

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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 6.65 -58.16 1 4 -1 69 240.323 4
Lo Low (pH 4.5-6) 2.11 4.66 -12.12 2 4 0 66 241.331 4

Activity (Go SEA)

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