UCSF

ZINC40192127

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 No

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) 4.85 12.5 -12.33 1 4 0 47 381.479 6
Lo Low (pH 4.5-6) 4.85 13.67 -31.58 2 4 1 48 382.487 6

Activity (Go SEA)

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