UCSF

ZINC24762366

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 30 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) 3.81 11.35 -61.81 3 7 1 80 406.51 7
Hi High (pH 8-9.5) 3.81 9.1 -25.93 2 7 0 79 405.502 7

Activity (Go SEA)

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