UCSF

ZINC04381541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 23 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) 3.79 9.01 -11.62 1 3 0 38 328.412 6
Mid Mid (pH 6-8) 3.79 9.46 -28.84 2 3 1 39 329.42 6

Activity (Go SEA)

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