UCSF

ZINC06898613

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 25 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) 4.23 12.69 -12.89 1 3 0 28 371.937 7
Lo Low (pH 4.5-6) 4.23 12.97 -52.13 2 3 1 29 372.945 7

Activity (Go SEA)

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