UCSF

ZINC09409293

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 34 Yes

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) 3.79 6.26 -16.39 3 8 0 108 465.55 10
Mid Mid (pH 6-8) 3.79 7.02 -56.62 2 8 -1 111 464.542 10

Activity (Go SEA)

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