UCSF

ZINC33813949

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 31 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) 2.33 10.25 -49.22 0 8 -1 104 430.469 4
Lo Low (pH 4.5-6) 2.33 9.12 -23.61 1 8 0 101 431.477 4

Activity (Go SEA)

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