UCSF

ZINC01471154

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 19 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) 2.26 7.09 -21.24 1 6 0 88 277.305 3
Hi High (pH 8-9.5) 2.33 6.25 -46.18 0 6 -1 94 276.297 3

Activity (Go SEA)

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