UCSF

ZINC37142978

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) 1.05 3.55 -49.1 2 5 1 67 318.488 6
Hi High (pH 8-9.5) 1.05 2.36 -12.94 1 5 0 62 317.48 6

Activity (Go SEA)

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