UCSF

ZINC30215972

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2009 18 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) 3.23 6.52 -44.31 2 4 1 47 318.235 6
Hi High (pH 8-9.5) 3.23 4.18 -10.82 1 4 0 45 317.227 6

Activity (Go SEA)

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