UCSF

ZINC35871034

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 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) 4.58 13.02 -59.82 2 8 1 92 479.601 7
Mid Mid (pH 6-8) 4.58 10.86 -16.53 1 8 0 91 478.593 7

Activity (Go SEA)

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