UCSF

ZINC44542139

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2010 26 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) 2.50 8.75 -15.92 1 6 0 66 358.486 4
Mid Mid (pH 6-8) 2.50 8.91 -37.58 2 6 1 67 359.494 4

Activity (Go SEA)

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