UCSF

ZINC34884209

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.64 8.81 -25.56 2 2 1 30 223.299 1
Mid Mid (pH 6-8) 3.64 8.82 -9.4 1 2 0 29 222.291 1

Activity (Go SEA)

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