UCSF

ZINC33924850

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 23 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) 0.74 4.13 -55.13 4 5 1 79 334.465 8
Mid Mid (pH 6-8) 0.74 3.83 -9.47 3 5 0 77 333.457 8

Activity (Go SEA)

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