UCSF

ZINC20007802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.51 5.52 -50.17 2 3 1 29 303.348 7
Lo Low (pH 4.5-6) 2.51 7.86 -118.82 3 3 2 30 304.356 7

Activity (Go SEA)

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