UCSF

ZINC20762982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 34 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) 4.08 12.58 -38.36 1 6 0 80 474.944 3
Hi High (pH 8-9.5) 4.08 10.29 -48.55 0 6 -1 79 473.936 3
Mid Mid (pH 6-8) 4.08 9.81 -17.47 1 6 0 76 474.944 3
Mid Mid (pH 6-8) 4.08 12.1 -59.39 2 6 1 77 475.952 3

Activity (Go SEA)

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