UCSF

ZINC21704554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 34 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) 4.53 11.83 -40.29 1 7 0 86 477.634 6
Hi High (pH 8-9.5) 4.53 9.63 -46.25 0 7 -1 85 476.626 6
Mid Mid (pH 6-8) 4.71 10.56 -20.07 1 7 0 78 477.634 6
Lo Low (pH 4.5-6) 4.71 12.9 -59.44 2 7 1 80 478.642 6

Activity (Go SEA)

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