UCSF

ZINC09489772

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 31 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) -0.16 0.99 -18.78 2 10 0 127 448.501 8
Lo Low (pH 4.5-6) -0.16 1.39 -42.78 3 10 1 128 449.509 8

Activity (Go SEA)

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