UCSF

ZINC19880481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 27 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) 5.12 8.87 -9.23 1 5 0 68 376.437 4
Mid Mid (pH 6-8) 5.38 9.59 -44.44 0 5 -1 66 375.429 5
Mid Mid (pH 6-8) 5.58 6.86 -50.36 0 5 -1 71 375.429 4

Activity (Go SEA)

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