UCSF

ZINC44265771

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 17 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) 2.82 3.19 -47.34 3 4 1 67 252.725 3
Hi High (pH 8-9.5) 2.82 2.96 -7.76 2 4 0 65 251.717 3

Activity (Go SEA)

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