UCSF

ZINC15012110

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 28 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) 7.63 13.35 -12.09 1 4 0 58 473.779 3
Ref Reference (pH 7) 7.14 12.74 -45.48 0 4 -1 57 472.771 4

Activity (Go SEA)

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