UCSF

ZINC26395770

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 42 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) 6.71 18.3 -66.35 1 9 0 101 563.706 12
Hi High (pH 8-9.5) 6.71 16.04 -55.9 0 9 -1 100 562.698 12
Mid Mid (pH 6-8) 6.71 18.7 -89.4 2 9 1 103 564.714 12
Lo Low (pH 4.5-6) 6.71 18.83 -84.4 3 9 2 104 565.722 12

Activity (Go SEA)

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