UCSF

ZINC19830811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 32 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) 3.26 7.44 -44.17 3 7 1 75 480.416 9
Mid Mid (pH 6-8) 3.26 7.38 -49.06 3 7 1 75 480.416 9
Mid Mid (pH 6-8) 3.26 5.06 -9.7 2 7 0 74 479.408 9

Activity (Go SEA)

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