UCSF

ZINC34951103

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 22 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) 4.08 8.78 -9.2 1 4 0 64 304.386 0
Hi High (pH 8-9.5) 4.08 9.78 -47.16 0 4 -1 66 303.378 0

Activity (Go SEA)

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