UCSF

ZINC37042755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -0.66 1.04 -53.46 4 5 1 77 226.3 3
Hi High (pH 8-9.5) -0.66 0.64 -14.32 3 5 0 75 225.292 3

Activity (Go SEA)

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