UCSF

ZINC33752853

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 2.57 7.68 -64.75 0 8 -1 101 436.44 8
Lo Low (pH 4.5-6) 2.57 6.73 -18.67 1 8 0 98 437.448 8

Activity (Go SEA)

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