UCSF

ZINC03919205

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 46 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) 7.86 4.72 -54.08 0 11 -1 132 621.718 14
Mid Mid (pH 6-8) 4.46 4.89 -65.17 1 11 0 134 622.726 14

Activity (Go SEA)

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