UCSF

ZINC42172363

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 13 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) 1.67 6.3 -101.54 3 2 2 21 184.327 3
Hi High (pH 8-9.5) 1.67 5.13 -29.86 2 2 1 16 183.319 3

Activity (Go SEA)

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