UCSF

ZINC19933462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 29 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) 0.84 2.44 -74.89 4 7 0 117 400.406 8
Hi High (pH 8-9.5) 0.84 0.96 -60.16 3 7 -1 113 399.398 8

Activity (Go SEA)

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