UCSF

ZINC20138866

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 16 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) 3.05 7.47 -53.42 2 1 1 17 240.298 4
Hi High (pH 8-9.5) 3.05 6.06 -6.89 1 1 0 12 239.29 4

Activity (Go SEA)

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