UCSF

ZINC42172162

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 17 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) 3.07 8.7 -107.5 3 2 2 21 238.419 3
Hi High (pH 8-9.5) 3.07 7.52 -31.84 2 2 1 16 237.411 3

Activity (Go SEA)

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