UCSF

ZINC36637244

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 1.51 7.31 -61.64 2 9 1 97 420.494 6
Mid Mid (pH 6-8) 1.51 4.96 -17.94 1 9 0 96 419.486 6

Activity (Go SEA)

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