UCSF

ZINC09108659

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 23 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) 0.31 -1.3 -53.74 3 8 -1 119 317.325 6
Ref Reference (pH 7) 0.31 -1.28 -52.22 3 8 -1 119 317.325 6
Lo Low (pH 4.5-6) -0.14 1.13 -13.83 4 8 0 116 318.333 6

Activity (Go SEA)

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