UCSF

ZINC20434430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) -1.61 -3.54 -46.85 4 6 1 86 214.245 1
Hi High (pH 8-9.5) -1.61 -4.92 -13.05 3 6 0 82 213.237 1

Activity (Go SEA)

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