UCSF

ZINC55341120

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 25 Yes

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) 3.16 6.14 -13.64 1 4 0 47 341.361 6
Lo Low (pH 4.5-6) 3.16 6.54 -34.45 2 4 1 48 342.369 6

Activity (Go SEA)

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