UCSF

ZINC39856069

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.12 6.63 -37.57 6 8 1 131 375.478 4
Hi High (pH 8-9.5) 2.12 6.6 -15.27 5 8 0 129 374.47 4

Activity (Go SEA)

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