UCSF

ZINC09059864

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 31 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) 2.04 6.07 -21.34 3 9 0 127 441.513 4
Mid Mid (pH 6-8) 2.01 5.83 -45.22 2 9 1 123 440.505 4

Activity (Go SEA)

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