UCSF

ZINC19798208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 0.15 6.59 -42.37 3 7 0 114 366.373 3
Hi High (pH 8-9.5) 0.15 5.69 -51.23 2 7 -1 110 365.365 3
Hi High (pH 8-9.5) 0.15 7.62 -62.49 2 7 -1 117 365.365 3

Activity (Go SEA)

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