UCSF

ZINC00856682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.04 -1.48 -141.4 4 9 2 124 376.413 6
Mid Mid (pH 6-8) -0.55 -1.66 -158.99 3 9 2 121 376.413 6

Activity (Go SEA)

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