UCSF

ZINC36277923

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.69 5.25 -18.73 2 8 0 93 359.43 6
Lo Low (pH 4.5-6) 0.69 7.47 -56.62 3 8 1 94 360.438 6
Lo Low (pH 4.5-6) 0.69 8.03 -102.1 4 8 2 96 361.446 6
Lo Low (pH 4.5-6) 0.69 5.68 -36.98 3 8 1 94 360.438 6

Activity (Go SEA)

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