UCSF

ZINC09464724

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 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) 4.22 10.89 -62.26 0 7 -1 88 484.528 8
Mid Mid (pH 6-8) 4.67 -0.51 -28.71 1 7 0 85 485.536 7

Activity (Go SEA)

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