UCSF

ZINC43079277

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 27 Yes

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) 2.10 7.82 -50.79 4 8 1 96 376.481 10
Hi High (pH 8-9.5) 2.10 5.69 -10.23 3 8 0 95 375.473 10
Mid Mid (pH 6-8) 2.10 8.25 -98.49 5 8 2 97 377.489 10

Activity (Go SEA)

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