UCSF

ZINC12462919

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 27 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) 3.74 8.98 -8.9 0 5 0 40 365.477 6
Mid Mid (pH 6-8) 3.74 11.48 -111.02 2 5 2 42 367.493 6
Mid Mid (pH 6-8) 3.74 9.38 -32.05 1 5 1 41 366.485 6

Activity (Go SEA)

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