UCSF

ZINC20849586

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 1.47 3.07 -7.47 1 3 0 46 164.208 0
Hi High (pH 8-9.5) 1.93 1.21 -49.01 0 3 -1 49 163.2 0

Activity (Go SEA)

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