UCSF

ZINC20200061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 12 Yes

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) 1.00 5.92 -57.15 2 2 1 40 165.26 4
Hi High (pH 8-9.5) 1.00 4.59 -6.39 1 2 0 36 164.252 4

Activity (Go SEA)

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