UCSF

ZINC09425031

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 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) 3.40 10.97 -40.74 0 7 -1 92 471.533 10
Mid Mid (pH 6-8) 3.84 9.4 -29.97 1 7 0 89 472.541 9
Lo Low (pH 4.5-6) 3.84 9.68 -70.26 2 7 1 90 473.549 9

Activity (Go SEA)

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