UCSF

ZINC58222755

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 26 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) 1.13 4.73 -12.6 2 7 0 82 358.442 4
Hi High (pH 8-9.5) 1.32 1.77 -45.72 1 7 -1 88 357.434 4
Mid Mid (pH 6-8) 1.13 4.72 -27.04 3 7 0 83 359.45 4

Activity (Go SEA)

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