UCSF

ZINC20519787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 14 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) 2.08 4.22 -41.25 4 4 1 63 202.322 8
Hi High (pH 8-9.5) 2.08 1.85 -6.92 3 4 0 62 201.314 8

Activity (Go SEA)

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