UCSF

ZINC16731122

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 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) 4.68 13 -14.43 1 6 0 80 508.549 8
Mid Mid (pH 6-8) 4.10 13.69 -20.19 0 6 0 77 508.549 8
Lo Low (pH 4.5-6) 5.13 12.94 -57.57 2 6 1 81 509.557 7
Lo Low (pH 4.5-6) 4.10 13.97 -55.34 1 6 1 78 509.557 8

Activity (Go SEA)

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