UCSF

ZINC37271561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) -1.61 1.03 -14.95 3 5 0 75 235.287 4
Mid Mid (pH 6-8) -1.61 1.36 -49.27 4 5 1 77 236.295 4

Activity (Go SEA)

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