UCSF

ZINC05095144

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 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) 2.38 2.94 -13.19 4 9 0 154 375.344 3
Mid Mid (pH 6-8) 2.38 2.34 -14.27 4 9 0 154 375.344 3

Activity (Go SEA)

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