UCSF

ZINC06644114

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 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) 3.49 11.6 -14.15 0 6 0 79 387.391 7
Lo Low (pH 4.5-6) 3.49 11.88 -45.61 1 6 1 80 388.399 7

Activity (Go SEA)

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