UCSF

ZINC36139314

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 21 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) 0.73 -1.57 -11.06 1 6 0 73 327.431 2
Ref Reference (pH 7) 0.54 0.99 -10.78 1 6 0 70 327.431 2
Mid Mid (pH 6-8) 0.54 3.35 -50.28 2 6 1 71 328.439 2
Mid Mid (pH 6-8) 0.73 0.79 -47.5 2 6 1 74 328.439 2

Activity (Go SEA)

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