UCSF

ZINC40181265

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 28 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) 3.74 10.28 -16.17 1 5 0 60 435.325 6
Lo Low (pH 4.5-6) 3.74 10.72 -38.79 2 5 1 61 436.333 6

Activity (Go SEA)

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