UCSF

ZINC20358285

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.74 9.45 -72.12 1 9 0 102 496.56 12
Hi High (pH 8-9.5) 2.74 6.91 -59.08 0 9 -1 101 495.552 12
Lo Low (pH 4.5-6) 2.74 8.63 -56.27 2 9 1 99 497.568 12

Activity (Go SEA)

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