UCSF

ZINC37205928

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) 2.45 4.52 -42.16 2 2 1 29 258.164 2
Hi High (pH 8-9.5) 2.45 3.09 -5.92 1 2 0 25 257.156 2

Activity (Go SEA)

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