UCSF

ZINC33761834

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 36 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) 3.64 12.69 -77.26 1 8 0 93 496.604 13
Lo Low (pH 4.5-6) 3.64 11.4 -60.37 2 8 1 90 497.612 13

Activity (Go SEA)

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