UCSF

ZINC40686876

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 15 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) -0.40 0.74 -7.07 5 6 0 99 209.253 3
Lo Low (pH 4.5-6) -0.40 1.12 -28.93 6 6 1 100 210.261 3

Activity (Go SEA)

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