UCSF

ZINC33916986

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 30 No

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) 0.66 8.15 -52.16 3 7 0 114 428.872 4
Hi High (pH 8-9.5) 0.66 5.69 -49.41 2 7 -1 110 427.864 4
Mid Mid (pH 6-8) 0.66 6.81 -67.25 2 7 -1 110 427.864 4

Activity (Go SEA)

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