UCSF

ZINC30754451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 32 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) 4.57 6.99 -16.47 2 7 0 94 474.966 9
Mid Mid (pH 6-8) 4.57 7.06 -43.29 1 7 -1 96 473.958 9

Activity (Go SEA)

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