UCSF

ZINC33772640

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 15 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) 0.89 -0.26 -48.35 3 5 1 72 212.273 6
Hi High (pH 8-9.5) 0.89 -1.78 -7.16 2 5 0 67 211.265 6

Activity (Go SEA)

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