UCSF

ZINC20506815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 2.80 4.58 -43.3 3 3 1 50 249.378 3
Hi High (pH 8-9.5) 2.80 4.19 -4.14 2 3 0 48 248.37 3

Activity (Go SEA)

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