UCSF

ZINC17154731

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 26 No

Other Names:

MFCD03080265

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) 5.96 7.77 -43.8 0 5 -1 70 382.852 1
Ref Reference (pH 7) 5.96 7.28 -45.8 0 5 -1 70 382.852 1
Mid Mid (pH 6-8) 5.51 9.38 -8.92 1 5 0 67 383.86 1
Mid Mid (pH 6-8) 5.51 9.09 -9.06 1 5 0 67 383.86 1

Activity (Go SEA)

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