UCSF

ZINC36979728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 2.15 6.69 -39.72 3 4 1 46 282.367 4
Hi High (pH 8-9.5) 2.15 4.21 -7.4 2 4 0 44 281.359 4

Activity (Go SEA)

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