UCSF

ZINC28971246

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2009 24 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) 3.97 7.45 -47.4 3 5 1 66 330.452 5
Mid Mid (pH 6-8) 4.15 5.01 -53.48 2 5 0 72 329.444 5

Activity (Go SEA)

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