UCSF

ZINC20332282

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) 2.84 10.83 -73.62 1 9 0 110 494.544 10
Hi High (pH 8-9.5) 2.84 8.52 -58.41 0 9 -1 108 493.536 10
Lo Low (pH 4.5-6) 2.84 10.01 -59.71 2 9 1 107 495.552 10

Activity (Go SEA)

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