UCSF

ZINC20065115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 34 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) 3.31 8.25 -58.59 0 7 -1 76 482.988 8
Mid Mid (pH 6-8) 3.31 10.58 -70.33 1 7 0 77 483.996 8

Activity (Go SEA)

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