UCSF

ZINC45771560

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 16 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) 0.54 3.02 -43.94 3 4 1 57 223.296 6
Hi High (pH 8-9.5) 0.54 0.65 -9.56 2 4 0 56 222.288 6

Activity (Go SEA)

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