UCSF

ZINC41733303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 1.23 8.01 -42.26 3 2 1 33 277.338 2
Hi High (pH 8-9.5) 1.23 7.68 -7.7 2 2 0 31 276.33 2

Activity (Go SEA)

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