UCSF

ZINC41058434

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 14 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) 2.29 6.37 -5.95 1 3 0 42 193.294 3
Mid Mid (pH 6-8) 2.29 6.48 -5.03 1 3 0 42 193.294 3

Activity (Go SEA)

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