UCSF

ZINC08514355

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2006 22 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) 3.27 7.67 -10.72 1 4 0 63 331.78 3
Mid Mid (pH 6-8) 4.34 5.95 -51.33 0 4 -1 66 330.772 3

Activity (Go SEA)

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