UCSF

ZINC21798638

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 12 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) 1.10 4.49 -42.69 2 3 1 29 186.304 4
Hi High (pH 8-9.5) 1.10 1.96 -5.29 1 3 0 28 185.296 4
Lo Low (pH 4.5-6) 1.10 4.9 -88.35 3 3 2 31 187.312 4

Activity (Go SEA)

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