UCSF

ZINC39869080

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 27 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) 6.30 11.57 -12.67 1 5 0 64 430.401 10
Hi High (pH 8-9.5) 6.36 9.99 -42.6 0 5 -1 70 429.393 10

Activity (Go SEA)

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