UCSF

ZINC04231466

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 23 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) 3.60 3.9 -12.88 4 6 0 97 443.095 4
Hi High (pH 8-9.5) 3.60 4.82 -55.65 3 6 -1 100 442.087 4

Activity (Go SEA)

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