UCSF

ZINC37803740

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 0.12 3.49 -54.57 3 6 1 83 311.412 3
Hi High (pH 8-9.5) 0.58 -0.38 -53.71 1 6 -1 81 309.396 3
Mid Mid (pH 6-8) 0.12 2.39 -19.44 2 6 0 78 310.404 3

Activity (Go SEA)

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