UCSF

ZINC36637686

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) 5.69 14.13 -49.31 1 4 1 38 438.523 6
Hi High (pH 8-9.5) 5.69 11.66 -8.1 0 4 0 36 437.515 6

Activity (Go SEA)

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