UCSF

ZINC00240373

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 22 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) 3.77 10.81 -38.56 1 3 1 31 316.343 6
Hi High (pH 8-9.5) 3.77 8.77 -5.89 0 3 0 30 315.335 6

Activity (Go SEA)

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