UCSF

ZINC41198117

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 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) 4.66 9.81 -34.75 2 2 1 29 366.348 4
Mid Mid (pH 6-8) 4.66 8.9 -3.95 1 2 0 25 365.34 4

Activity (Go SEA)

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