UCSF

ZINC17180264

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 36 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) 3.26 10.24 -60.03 0 9 -1 122 504.544 9
Mid Mid (pH 6-8) 2.68 10.56 -16.8 0 9 0 116 505.552 9
Mid Mid (pH 6-8) 3.26 10.2 -15.57 1 9 0 119 505.552 9
Lo Low (pH 4.5-6) 3.26 10.48 -43.58 2 9 1 120 506.56 9
Lo Low (pH 4.5-6) 2.68 10.84 -49.62 1 9 1 117 506.56 9

Activity (Go SEA)

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