UCSF

ZINC09508554

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 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) 2.58 4.24 -21.32 3 8 0 114 464.302 8
Hi High (pH 8-9.5) 2.58 4.16 -54.43 2 8 -1 116 463.294 8

Activity (Go SEA)

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