UCSF

ZINC04643785

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2005 28 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) 3.11 5.67 -11.05 2 6 0 78 381.407 6
Hi High (pH 8-9.5) 3.09 6.44 -56.02 0 6 -1 77 380.399 6
Hi High (pH 8-9.5) 3.09 6.66 -53.14 0 6 -1 77 380.399 6
Hi High (pH 8-9.5) 3.11 7.51 -40.06 1 6 -1 81 380.399 6
Mid Mid (pH 6-8) 3.11 6.44 -50.56 1 6 -1 81 380.399 6

Activity (Go SEA)

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