UCSF

ZINC39854009

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 29 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) 5.65 10.87 -10.04 1 5 0 64 451.32 5
Hi High (pH 8-9.5) 5.65 12 -60.13 0 5 -1 67 450.312 5

Activity (Go SEA)

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