UCSF

ZINC58281036

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 22 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) 2.20 6.92 -54.6 4 5 1 77 304.414 7
Hi High (pH 8-9.5) 2.20 4.98 -17.51 3 5 0 75 303.406 7

Activity (Go SEA)

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