UCSF

ZINC09373711

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 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) 3.57 9.82 -57.87 0 8 -1 109 481.481 7
Mid Mid (pH 6-8) 4.02 9.53 -28.41 1 8 0 106 482.489 6

Activity (Go SEA)

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