UCSF

ZINC40750871

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 16 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) -0.26 0.67 -45.6 3 6 0 98 226.232 6
Mid Mid (pH 6-8) -0.26 0.34 -48.64 2 6 -1 97 225.224 6

Activity (Go SEA)

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