UCSF

ZINC39379294

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 26 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) 5.59 9.79 -10.26 0 4 0 38 349.478 6
Mid Mid (pH 6-8) 5.59 11.77 -41.9 1 4 1 39 350.486 6
Mid Mid (pH 6-8) 5.59 12.08 -40.58 1 4 1 39 350.486 6

Activity (Go SEA)

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