UCSF

ZINC42462835

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.75 8.86 -34.03 1 3 1 21 268.812 3
Hi High (pH 8-9.5) 2.75 6.78 -4.69 0 3 0 19 267.804 3
Lo Low (pH 4.5-6) 2.75 9.17 -89.44 2 3 2 22 269.82 3

Activity (Go SEA)

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