UCSF

ZINC44358496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 41 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) -4.94 -6.73 -60.09 11 17 1 266 584.655 14
Hi High (pH 8-9.5) -4.94 -7.04 -25.91 10 17 0 264 583.647 14

Activity (Go SEA)

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