UCSF

ZINC42945522

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 3.27 4.72 -45.9 3 2 1 31 295.756 6
Hi High (pH 8-9.5) 3.27 4.42 -4.15 2 2 0 29 294.748 6
Lo Low (pH 4.5-6) 3.27 7.6 -127.37 4 2 2 32 296.764 6

Activity (Go SEA)

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