UCSF

ZINC39854070

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 24 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) 3.32 6.29 -16.35 1 6 0 73 391.221 4
Hi High (pH 8-9.5) 3.32 7.42 -64.61 0 6 -1 76 390.213 4
Hi High (pH 8-9.5) 3.32 6.6 -58.51 0 6 -1 76 390.213 4

Activity (Go SEA)

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