UCSF

ZINC22166842

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 13 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) 1.70 5.06 -102.59 4 2 2 32 186.343 5
Hi High (pH 8-9.5) 1.70 4.68 -31.51 3 2 1 30 185.335 5
Hi High (pH 8-9.5) 1.70 2.79 -43.59 3 2 1 31 185.335 5

Activity (Go SEA)

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