UCSF

ZINC09239953

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 36 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) 2.89 10.26 -72.97 2 9 0 116 495.576 12
Mid Mid (pH 6-8) 2.31 1.65 -53.01 2 9 1 110 496.584 12
Mid Mid (pH 6-8) 3.34 10.86 -50.73 3 9 1 113 496.584 11

Activity (Go SEA)

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