UCSF

ZINC40177475

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 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) -0.66 -1.31 -64.57 3 7 1 97 380.556 6
Lo Low (pH 4.5-6) -0.66 -0.1 -162.3 4 7 2 101 381.564 6

Activity (Go SEA)

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