UCSF

ZINC52124852

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 20 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) 3.71 8.15 -9.55 1 3 0 42 289.379 3
Mid Mid (pH 6-8) 4.40 8.28 -8.17 2 3 0 44 289.379 3
Lo Low (pH 4.5-6) 3.71 8.56 -30.03 2 3 1 43 290.387 3

Activity (Go SEA)

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