UCSF

ZINC25444967

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 1.43 6.06 -23.19 2 9 0 130 361.383 6
Hi High (pH 8-9.5) 1.25 4.99 -45.93 1 9 -1 136 360.375 6

Activity (Go SEA)

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