UCSF

ZINC33814327

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 39 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) 4.13 12.9 -58.07 0 9 -1 105 534.633 13
Lo Low (pH 4.5-6) 4.13 11.59 -23.85 1 9 0 103 535.641 13

Activity (Go SEA)

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