UCSF

ZINC17180265

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 10.27 -59.75 0 9 -1 122 504.544 9
Mid Mid (pH 6-8) 3.26 10.17 -14.81 1 9 0 119 505.552 9
Mid Mid (pH 6-8) 2.68 10.53 -15.22 0 9 0 116 505.552 9
Lo Low (pH 4.5-6) 3.26 10.45 -45.23 2 9 1 120 506.56 9
Lo Low (pH 4.5-6) 2.68 10.81 -51.56 1 9 1 117 506.56 9

Activity (Go SEA)

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