UCSF

ZINC31867231

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 2.53 7.92 -11.81 1 5 0 68 372.519 6
Lo Low (pH 4.5-6) 2.53 8.39 -45.58 2 5 1 69 373.527 6

Activity (Go SEA)

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