UCSF

ZINC34679105

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 35 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) 5.22 17.8 -10.86 0 6 0 53 490.051 5
Lo Low (pH 4.5-6) 5.22 18.13 -33.15 1 6 1 54 491.059 5
Lo Low (pH 4.5-6) 5.22 18.11 -34.38 1 6 1 54 491.059 5

Activity (Go SEA)

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