UCSF

ZINC39983056

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) 0.43 7.7 -34.98 2 4 0 65 283.327 4
Hi High (pH 8-9.5) 0.43 5.26 -49.69 1 4 -1 64 282.319 4

Activity (Go SEA)

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