UCSF

ZINC21435749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2008 28 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) 3.89 10.5 -9.61 0 3 0 24 406.473 4
Mid Mid (pH 6-8) 3.89 12.78 -54.39 1 3 1 25 407.481 4

Activity (Go SEA)

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