UCSF

ZINC43321635

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 16 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) 3.83 7.78 -42.03 2 1 1 17 236.335 3
Hi High (pH 8-9.5) 3.83 6.34 -4.2 1 1 0 12 235.327 3

Activity (Go SEA)

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