UCSF

ZINC13943988

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2008 26 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) 5.26 9.81 -8.22 0 4 0 38 412.331 3
Mid Mid (pH 6-8) 5.26 12.1 -45.24 1 4 1 39 413.339 3
Mid Mid (pH 6-8) 5.26 11.84 -46.06 1 4 1 39 413.339 3

Activity (Go SEA)

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