UCSF

ZINC35502408

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 4.44 12.07 -14.6 1 5 0 58 451.368 5
Lo Low (pH 4.5-6) 4.44 12.42 -38.76 2 5 1 59 452.376 5

Activity (Go SEA)

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