UCSF

ZINC13776963

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 24 No

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) 5.93 8.27 -8.25 1 4 0 54 379.268 3
Ref Reference (pH 7) 5.93 8.57 -7.63 1 4 0 54 379.268 3
Hi High (pH 8-9.5) 6.39 6.6 -44.62 0 4 -1 58 378.26 3
Hi High (pH 8-9.5) 6.39 6.23 -47.07 0 4 -1 58 378.26 3

Activity (Go SEA)

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