UCSF

ZINC29971250

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 18 No

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) 1.56 2.67 -11.2 1 7 0 101 294.716 6
Hi High (pH 8-9.5) 1.56 2.34 -42.89 0 7 -1 103 293.708 6

Activity (Go SEA)

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