UCSF

ZINC30903959

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 28 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) 2.77 9.15 -11.45 1 5 0 56 373.456 4
Ref Reference (pH 7) 2.77 9.38 -12.68 1 5 0 56 373.456 4
Mid Mid (pH 6-8) 2.77 11.57 -55.06 2 5 1 58 374.464 4
Mid Mid (pH 6-8) 2.77 11.54 -54.32 2 5 1 58 374.464 4

Activity (Go SEA)

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