UCSF

ZINC20075349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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) 0.86 2.99 -50.74 3 4 1 49 225.36 7
Lo Low (pH 4.5-6) 0.86 5.03 -123.81 4 4 2 50 226.368 7

Activity (Go SEA)

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