UCSF

ZINC37878163

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) 2.52 6 -49.42 3 4 1 70 289.399 6
Hi High (pH 8-9.5) 2.52 4.76 -11.02 2 4 0 65 288.391 6

Activity (Go SEA)

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