UCSF

ZINC06812974

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 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) 2.77 8.57 -57.65 0 8 -1 115 395.391 7
Mid Mid (pH 6-8) 3.22 9.23 -17.58 1 8 0 113 396.399 6

Activity (Go SEA)

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