UCSF

ZINC20075846

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 0.59 1.36 -33.98 4 4 1 64 220.296 2
Hi High (pH 8-9.5) 0.59 1.45 -5.99 3 4 0 62 219.288 2

Activity (Go SEA)

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