UCSF

ZINC36638108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 4.13 11.43 -44.31 1 6 1 56 448.515 7
Hi High (pH 8-9.5) 4.13 9.28 -15.15 0 6 0 55 447.507 7

Activity (Go SEA)

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