UCSF

ZINC21811289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 3.75 4.61 -30.51 4 4 0 75 306.774 3
Mid Mid (pH 6-8) 3.75 5.64 -74.91 3 4 -1 78 305.766 3

Activity (Go SEA)

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