UCSF

ZINC40405479

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 21 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) 1.61 6.31 -88.82 2 6 0 83 291.351 7
Hi High (pH 8-9.5) 1.61 4.2 -56.51 1 6 -1 81 290.343 7
Lo Low (pH 4.5-6) 1.61 6.99 -115.99 3 6 1 84 292.359 7

Activity (Go SEA)

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