UCSF

ZINC20280769

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 37 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) 2.20 6.7 -56.04 1 10 -1 124 510.567 10
Mid Mid (pH 6-8) 2.20 8.97 -72.36 2 10 0 125 511.575 10
Lo Low (pH 4.5-6) 2.20 5.95 -18.66 2 10 0 121 511.575 10
Lo Low (pH 4.5-6) 2.20 8.21 -61.98 3 10 1 123 512.583 10

Activity (Go SEA)

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