UCSF

ZINC20321860

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 27 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) 2.46 8.33 -89.1 4 5 2 50 394.991 6
Hi High (pH 8-9.5) 2.46 5.96 -39.7 3 5 1 49 393.983 6

Activity (Go SEA)

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