UCSF

ZINC29912102

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 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) 2.01 7.34 -44.48 2 4 1 57 244.318 5
Hi High (pH 8-9.5) 2.01 5.22 -12.7 1 4 0 56 243.31 5

Activity (Go SEA)

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