UCSF

ZINC03632940

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.00 7.53 -36.45 2 1 1 17 210.3 0
Hi High (pH 8-9.5) 3.00 6.17 -2.82 1 1 0 12 209.292 0

Activity (Go SEA)

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