UCSF

ZINC13564578

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 23 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) 2.74 8.12 -16.22 1 5 0 64 327.409 6
Ref Reference (pH 7) 2.74 8.84 -9.82 1 5 0 64 327.409 5
Mid Mid (pH 6-8) 2.74 7.73 -41.82 0 5 -1 66 326.401 6
Lo Low (pH 4.5-6) 2.74 8.89 -32.41 2 5 1 65 328.417 5
Lo Low (pH 4.5-6) 2.92 8.54 -16.56 1 5 0 67 327.409 5

Activity (Go SEA)

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