UCSF

ZINC40176727

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.59 2.56 -16.97 2 7 0 96 380.397 4
Hi High (pH 8-9.5) 2.59 3.56 -56.45 1 7 -1 99 379.389 4

Activity (Go SEA)

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