UCSF

ZINC35890330

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 33 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) 4.19 13.68 -13.27 0 8 0 95 449.486 5
Mid Mid (pH 6-8) 4.19 14 -42.39 1 8 1 96 450.494 5

Activity (Go SEA)

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