UCSF

ZINC37083698

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 0.87 4.4 -54.89 3 4 1 65 297.444 4
Hi High (pH 8-9.5) 0.87 4.11 -7.51 2 4 0 63 296.436 4

Activity (Go SEA)

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