UCSF

ZINC22786857

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 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) 2.65 8.72 -38.35 2 5 1 44 343.447 7
Hi High (pH 8-9.5) 2.65 4.49 -7.62 1 5 0 43 342.439 7
Mid Mid (pH 6-8) 2.65 6.78 -46.18 2 5 1 48 343.447 7

Activity (Go SEA)

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