UCSF

ZINC53131382

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) 3.30 8.19 -47.98 2 2 1 29 261.776 5
Hi High (pH 8-9.5) 3.30 7.28 -4.2 1 2 0 25 260.768 5
Lo Low (pH 4.5-6) 3.30 8.66 -105.51 3 2 2 31 262.784 5

Activity (Go SEA)

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