UCSF

ZINC20210172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 1.64 4.07 -44.43 3 3 1 46 257.766 3
Hi High (pH 8-9.5) 1.64 2.75 -7.59 2 3 0 41 256.758 3

Activity (Go SEA)

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