UCSF

ZINC53131517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 2.79 7.92 -45.36 2 2 1 29 245.321 5
Hi High (pH 8-9.5) 2.79 6.91 -5.36 1 2 0 25 244.313 5
Lo Low (pH 4.5-6) 2.79 8.39 -107.59 3 2 2 31 246.329 5

Activity (Go SEA)

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