UCSF

ZINC09281266

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 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) 3.26 10.37 -60.81 0 9 -1 122 504.544 10
Mid Mid (pH 6-8) 2.68 10.4 -26.51 0 9 0 116 505.552 10
Mid Mid (pH 6-8) 3.71 9.4 -34.16 1 9 0 119 505.552 9
Lo Low (pH 4.5-6) 2.68 10.69 -60.48 1 9 1 117 506.56 10
Lo Low (pH 4.5-6) 3.26 10.02 -50.27 2 9 1 120 506.56 10

Activity (Go SEA)

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