UCSF

ZINC09045941

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 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) 2.56 7.21 -62.19 0 7 -1 82 435.5 8
Mid Mid (pH 6-8) 1.97 9.27 -47.37 1 7 1 77 437.516 8
Mid Mid (pH 6-8) 3.00 8.77 -44.17 2 7 1 81 437.516 7
Mid Mid (pH 6-8) 2.56 9.54 -82.63 1 7 0 83 436.508 8

Activity (Go SEA)

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