UCSF

ZINC09065154

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 35 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) 3.20 11.19 -59.87 0 9 -1 128 470.461 9
Mid Mid (pH 6-8) 3.65 10.07 -17.27 1 9 0 126 471.469 8
Lo Low (pH 4.5-6) 3.65 10.34 -44.46 2 9 1 127 472.477 8

Activity (Go SEA)

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