UCSF

ZINC29893172

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.36 5.88 -18.64 1 5 0 53 331.46 6
Mid Mid (pH 6-8) 2.36 8.22 -59.01 2 5 1 54 332.468 6

Activity (Go SEA)

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