UCSF

ZINC22216711

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 0.59 2.27 -49.21 5 5 1 80 298.794 3
Hi High (pH 8-9.5) 0.59 -0 -13.81 4 5 0 79 297.786 3

Activity (Go SEA)

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