UCSF

ZINC09357058

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 29 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) 0.83 3.94 -61.91 1 10 -1 149 401.351 9
Lo Low (pH 4.5-6) 0.83 3.12 -20.86 2 10 0 146 402.359 9

Activity (Go SEA)

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