UCSF

ZINC24602112

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 25 No

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) 2.80 5.99 -41.64 1 6 -1 79 354.411 3
Mid Mid (pH 6-8) 2.34 7.25 -13.02 2 6 0 76 355.419 3

Activity (Go SEA)

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