UCSF

ZINC37119231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 5.58 10.33 -43.37 2 1 1 17 357.312 5
Hi High (pH 8-9.5) 5.58 9.22 -3.9 1 1 0 12 356.304 5

Activity (Go SEA)

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