UCSF

ZINC01548655

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 27 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) 4.66 12.05 -58.16 0 5 -1 75 361.421 8
Mid Mid (pH 6-8) 4.66 12.49 -63.13 1 5 0 76 362.429 8

Activity (Go SEA)

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