UCSF

ZINC62975963

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 21 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) 2.29 7.37 -34.7 3 4 1 47 283.399 2
Hi High (pH 8-9.5) 2.29 4.97 -8.44 2 4 0 45 282.391 2

Activity (Go SEA)

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