UCSF

ZINC17877620

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 25 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) 2.19 0.86 -14.55 4 7 0 111 361.785 5
Ref Reference (pH 7) 2.19 1.2 -17.35 4 7 0 111 361.785 5
Hi High (pH 8-9.5) 2.19 1.97 -60.2 3 7 -1 114 360.777 5
Hi High (pH 8-9.5) 2.19 1.64 -46.56 3 7 -1 114 360.777 5

Activity (Go SEA)

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