UCSF

ZINC01953722

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 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) 2.52 7.41 -29.65 2 11 0 151 440.441 8
Hi High (pH 8-9.5) 2.59 5.74 -64.13 1 11 -1 158 439.433 8

Activity (Go SEA)

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