UCSF

ZINC08686241

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 23 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) 2.67 2.8 -47.77 0 10 -1 112 318.317 4
Mid Mid (pH 6-8) 2.21 4.44 -12.23 1 10 0 109 319.325 4

Activity (Go SEA)

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