UCSF

ZINC09222924

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 28 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) 2.54 11.24 -22.21 1 8 0 98 383.428 4
Mid Mid (pH 6-8) 2.54 12.4 -23.34 0 8 0 95 382.42 4

Activity (Go SEA)

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