UCSF

ZINC09424837

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) 3.33 9.57 -60.5 0 8 -1 105 484.513 4
Lo Low (pH 4.5-6) 3.33 8.81 -18.28 1 8 0 102 485.521 4

Activity (Go SEA)

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