UCSF

ZINC20525097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.42 6.7 -43.1 2 3 1 50 219.308 6
Hi High (pH 8-9.5) 2.42 5.36 -9.88 1 3 0 45 218.3 6

Activity (Go SEA)

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