UCSF

ZINC33776719

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 28 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) 5.08 8.23 -10.94 1 6 0 73 398.484 6
Lo Low (pH 4.5-6) 4.59 7.76 -43.99 0 6 -1 72 397.476 7
Lo Low (pH 4.5-6) 4.59 8.32 -18.21 1 6 0 70 398.484 7

Activity (Go SEA)

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