UCSF

ZINC22698882

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 21 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) 2.24 4.06 -10.62 1 5 0 54 303.387 3
Lo Low (pH 4.5-6) 3.17 5.93 -52.87 2 5 1 59 304.395 2

Activity (Go SEA)

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