UCSF

ZINC40527049

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 20 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) 1.54 3.8 -11.73 2 5 0 63 271.32 5
Lo Low (pH 4.5-6) 1.54 4.26 -43.06 3 5 1 64 272.328 5

Activity (Go SEA)

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