UCSF

ZINC36449004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 11 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) 2.89 2.18 -4.5 1 2 0 29 217.062 1
Hi High (pH 8-9.5) 2.89 2.93 -40.62 0 2 -1 32 216.054 1

Activity (Go SEA)

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