UCSF

ZINC03845814

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 16 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) -2.03 3.82 -28.3 0 2 1 3 219.352 2
Mid Mid (pH 6-8) -2.03 4.42 -102.27 1 2 2 4 220.36 2

Activity (Go SEA)

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