UCSF

ZINC20899058

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 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) 3.99 11.17 -16.04 1 6 0 73 435.549 2
Hi High (pH 8-9.5) 4.33 11.15 -42.16 1 6 -1 79 434.541 3

Activity (Go SEA)

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