UCSF

ZINC72043694

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2012 28 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) 3.91 9.12 -13.6 3 7 0 104 382.464 6
Lo Low (pH 4.5-6) 3.91 9.51 -104.18 4 7 0 105 383.472 6

Activity (Go SEA)

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