UCSF

ZINC22037436

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 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) 1.13 6.94 -50.07 2 7 1 64 372.493 5
Hi High (pH 8-9.5) 1.13 4.68 -26.57 1 7 0 63 371.485 5
Mid Mid (pH 6-8) 1.13 7.21 -46.41 2 7 1 64 372.493 5

Activity (Go SEA)

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