UCSF

ZINC37857897

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 28 No

Download: MOL2 SDF SMILES Flexibase

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) 3.01 7.55 -10.48 0 5 0 56 370.408 3
Mid Mid (pH 6-8) 3.01 10.4 -51.49 1 5 1 57 371.416 3

Activity (Go SEA)

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