UCSF

ZINC00734503

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 37 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) 5.51 14.48 -13.58 0 8 0 87 495.583 6
Mid Mid (pH 6-8) 5.51 16.81 -58.55 1 8 1 88 496.591 6

Activity (Go SEA)

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