UCSF

ZINC04146904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 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) 2.45 1.53 -10.87 4 7 0 117 360.373 3
Mid Mid (pH 6-8) 2.45 0.92 -10.91 4 7 0 117 360.373 3
Lo Low (pH 4.5-6) 2.45 1.33 -50.38 5 7 1 119 361.381 3

Activity (Go SEA)

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