UCSF

ZINC22154172

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 1.36 4.93 -108.42 5 4 2 61 251.374 6
Hi High (pH 8-9.5) 1.36 2.91 -61.09 4 4 1 60 250.366 6

Activity (Go SEA)

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