UCSF

ZINC00778566

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 26 Yes

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) 3.69 8.42 -55.09 0 6 -1 81 352.366 6
Lo Low (pH 4.5-6) 3.69 8.74 -48.95 1 6 0 82 353.374 6

Activity (Go SEA)

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