UCSF

ZINC39224621

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 21 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) 5.07 9.66 -7.62 1 2 0 25 270.335 2
Lo Low (pH 4.5-6) 5.07 10.14 -33.24 2 2 1 26 271.343 2

Activity (Go SEA)

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