UCSF

ZINC53133831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 1.30 5.63 -47.02 0 4 -1 66 233.272 3
Lo Low (pH 4.5-6) 1.30 6.09 -65.13 1 4 0 67 234.28 3

Activity (Go SEA)

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