UCSF

ZINC21808665

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 16 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) 2.67 6.92 -38.73 2 3 1 29 285.209 4
Hi High (pH 8-9.5) 2.67 4.59 -3.01 1 3 0 28 284.201 4

Activity (Go SEA)

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