UCSF

ZINC44953059

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 24 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) 0.38 6.91 -16.26 1 6 0 66 330.432 4
Lo Low (pH 4.5-6) 0.38 7.07 -40.83 2 6 1 67 331.44 4

Activity (Go SEA)

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