UCSF

ZINC13476745

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 23 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) 3.37 10.12 -7.55 1 4 0 54 323.421 4
Hi High (pH 8-9.5) 3.90 9.05 -44.31 0 4 -1 56 322.413 5
Lo Low (pH 4.5-6) 3.90 10.26 -33.62 2 4 1 55 324.429 5

Activity (Go SEA)

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