UCSF

ZINC40917865

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 27 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) 4.80 12.79 -41 1 4 1 31 360.481 5
Mid Mid (pH 6-8) 4.80 10.32 -10.21 0 4 0 30 359.473 5

Activity (Go SEA)

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