UCSF

ZINC33629160

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 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) 2.84 12.55 -63.88 1 8 -1 109 473.6 10
Lo Low (pH 4.5-6) 2.84 11.43 -23.86 2 8 0 106 474.608 10

Activity (Go SEA)

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