UCSF

ZINC09409279

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 33 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) 3.70 5.6 -16.67 3 8 0 108 451.523 10
Mid Mid (pH 6-8) 3.70 6.36 -56.93 2 8 -1 111 450.515 10

Activity (Go SEA)

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