UCSF

ZINC19927915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 27 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) 0.77 2.75 -60.13 0 8 -1 99 371.369 6
Mid Mid (pH 6-8) 0.77 5.15 -69.38 1 8 0 100 372.377 6
Mid Mid (pH 6-8) 0.77 1.93 -16.42 1 8 0 96 372.377 6
Lo Low (pH 4.5-6) 0.77 4.33 -49.06 2 8 1 98 373.385 6

Activity (Go SEA)

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