UCSF

ZINC05092822

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 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) 3.85 5.25 -10.32 2 4 0 66 306.774 1
Mid Mid (pH 6-8) 2.79 5.5 -51.21 0 4 -1 65 305.766 1

Activity (Go SEA)

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