UCSF

ZINC20123150

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.14 6.48 -36.11 2 3 1 33 251.394 7
Mid Mid (pH 6-8) 3.14 8.89 -112.05 3 3 2 34 252.402 7
Mid Mid (pH 6-8) 3.14 7.36 -31.99 2 3 1 30 251.394 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.