UCSF

ZINC04537392

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 28 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) 2.22 8.42 -63.4 0 6 -1 83 379.436 7
Mid Mid (pH 6-8) 1.64 -0.47 -24.73 0 6 0 76 380.444 7
Mid Mid (pH 6-8) 2.67 -0.82 -30.51 1 6 0 79 380.444 6
Lo Low (pH 4.5-6) 2.67 -0.33 -50.23 2 6 1 80 381.452 6

Activity (Go SEA)

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