UCSF

ZINC04599065

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 25 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) 2.73 3.33 -13.3 1 6 0 79 360.435 5
Hi High (pH 8-9.5) 2.73 5.42 -54.56 0 6 -1 82 359.427 5
Hi High (pH 8-9.5) 2.73 4.24 -46.16 0 6 -1 82 359.427 5
Lo Low (pH 4.5-6) 2.73 4.96 -13.14 2 6 0 81 361.443 5
Lo Low (pH 4.5-6) 2.73 3.75 -45.61 2 6 1 81 361.443 5

Activity (Go SEA)

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