UCSF

ZINC40185836

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 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) 5.98 14.38 -11.46 1 4 0 47 419.528 5
Lo Low (pH 4.5-6) 5.98 14.91 -34.84 2 4 1 48 420.536 5

Activity (Go SEA)

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