UCSF

ZINC13986273

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 27 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) 3.46 5.86 -18.56 3 7 0 103 364.405 6
Ref Reference (pH 7) 3.28 5.84 -41.16 4 7 1 101 365.413 7
Hi High (pH 8-9.5) 3.91 4.13 -51.23 2 7 -1 107 363.397 6
Hi High (pH 8-9.5) 3.91 3.81 -65.85 2 7 -1 107 363.397 6

Activity (Go SEA)

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