UCSF

ZINC33587753

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 32 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) 5.00 8.95 -45.67 0 6 -1 84 490.333 5
Lo Low (pH 4.5-6) 4.54 11.62 -10.79 1 6 0 81 491.341 5

Activity (Go SEA)

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