UCSF

ZINC20309794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.82 9.13 -86.28 2 9 0 121 468.506 10
Hi High (pH 8-9.5) 2.82 10.15 -143.16 1 9 -1 123 467.498 10

Activity (Go SEA)

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