UCSF

ZINC20065837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 30 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) 3.22 10.39 -71.07 1 6 0 74 408.498 9
Hi High (pH 8-9.5) 3.22 8.1 -58.92 0 6 -1 73 407.49 9
Lo Low (pH 4.5-6) 3.22 9.56 -51.49 2 6 1 71 409.506 9

Activity (Go SEA)

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